4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene

C135H93N9 — CID 160795602

IUPAC4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c3n5-c3ccccc3N4c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c6cccc7c6n(c5cc43)-c3ccccc3N7c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c6cccc7c6n5-c5ccccc5N7c5ccccc5)c43)cc21
InChIInChI=1S/3C45H31N3/c1-45(2)36-18-8-6-15-30(36)31-24-23-29(25-37(31)45)47-38-19-9-7-16-32(38)34-26-43-35(27-42(34)47)33-17-12-22-41-44(33)48(43)40-21-11-10-20-39(40)46(41)28-13-4-3-5-14-28;1-45(2)36-18-8-6-15-30(36)31-24-23-29(25-37(31)45)47-38-19-9-7-16-32(38)34-26-35-33-17-12-22-41-44(33)48(43(35)27-42(34)47)40-21-11-10-20-39(40)46(41)28-13-4-3-5-14-28;1-45(2)35-18-8-6-15-30(35)31-24-23-29(27-36(31)45)47-37-19-9-7-16-32(37)33-25-26-40-42(44(33)47)34-17-12-22-41-43(34)48(40)39-21-11-10-20-38(39)46(41)28-13-4-3-5-14-28/h3*3-27H,1-2H3
InChIKeySCKAPHYBUKFQJS-UHFFFAOYSA-N
MW1841.29 g/mol
LogP35.91
Rot. Bonds6

About 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene

4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene (PubChem CID 160795602) has the molecular formula C135H93N9 and a molecular weight of 1841.29 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
PubChem CID160795602
Molecular FormulaC135H93N9
Molecular Weight1841.29 g/mol
Exact Mass1839.76
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c3n5-c3ccccc3N4c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c6cccc7c6n(c5cc43)-c3ccccc3N7c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c6cccc7c6n5-c5ccccc5N7c5ccccc5)c43)cc21
InChIInChI=1S/3C45H31N3/c1-45(2)36-18-8-6-15-30(36)31-24-23-29(25-37(31)45)47-38-19-9-7-16-32(38)34-26-43-35(27-42(34)47)33-17-12-22-41-44(33)48(43)40-21-11-10-20-39(40)46(41)28-13-4-3-5-14-28;1-45(2)36-18-8-6-15-30(36)31-24-23-29(25-37(31)45)47-38-19-9-7-16-32(38)34-26-35-33-17-12-22-41-44(33)48(43(35)27-42(34)47)40-21-11-10-20-39(40)46(41)28-13-4-3-5-14-28;1-45(2)35-18-8-6-15-30(35)31-24-23-29(27-36(31)45)47-37-19-9-7-16-32(37)33-25-26-40-42(44(33)47)34-17-12-22-41-43(34)48(40)39-21-11-10-20-38(39)46(41)28-13-4-3-5-14-28/h3*3-27H,1-2H3
InChIKeySCKAPHYBUKFQJS-UHFFFAOYSA-N
XLogP35.91
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001841.29
LogP ≤ 535.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene with MolForge

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Related Compounds

4-(4-carbazol-9-ylphenyl)-20-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene;10-(4-carbazol-9-ylphenyl)-20-phenyl-1,10,20-triazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;11-(4-carbazol-9-ylphenyl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
CID 159042820
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
4-phenyl-22-(9-phenylcarbazol-3-yl)-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-phenyl-22-(9-phenylcarbazol-3-yl)-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;11-phenyl-20-(9-phenylcarbazol-3-yl)-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene
CID 158710008
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole;12-(9,9-dimethylfluoren-1-yl)-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 158730549
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
12-dibenzoselenophen-3-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 140744291
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-14-(9,9-dimethylfluoren-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122469773

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene (CID 160795602) is 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3cccc4c3n5-c3ccccc3N4c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc5c6cccc7c6n(c5cc43)-c3ccccc3N7c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c6cccc7c6n5-c5ccccc5N7c5ccccc5)c43)cc21.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
The InChIKey is SCKAPHYBUKFQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H31N3/c1-45(2)36-18-8-6-15-30(36)31-24-23-29(25-37(31)45)47-38-19-9-7-16-32(38)34-26-43-35(27-42(34)47)33-17-12-22-41-44(33)48(43)40-21-11-10-20-39(40)46(41)28-13-4-3-5-14-28;1-45(2)36-18-8-6-15-30(36)31-24-23-29(25-37(31)45)47-38-19-9-7-16-32(38)34-26-35-33-17-12-22-41-44(33)48(43(35)27-42(34)47)40-21-11-10-20-39(40)46(41)28-13-4-3-5-14-28;1-45(2)35-18-8-6-15-30(35)31-24-23-29(27-36(31)45)47-37-19-9-7-16-32(37)33-25-26-40-42(44(33)47)34-17-12-22-41-43(34)48(40)39-21-11-10-20-38(39)46(41)28-13-4-3-5-14-28/h3*3-27H,1-2H3.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene?
4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene has a molecular weight of 1841.29 g/mol, XLogP of 35.91, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene is sourced from PubChem (CID 160795602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).