7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

C57H39N3O — CID 170651923

IUPAC7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4cccc(c4)c4cccc(c4)n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc5oc6ccc3cc6c5c4)cc21
InChIInChI=1S/C57H39N3O/c1-57(2)51-20-8-6-18-45(51)46-26-22-44(35-52(46)57)59-40-17-11-13-37(31-40)36-12-10-16-39(30-36)58(42-24-28-55-49(33-42)50-34-43(59)25-29-56(50)61-55)41-23-27-54-48(32-41)47-19-7-9-21-53(47)60(54)38-14-4-3-5-15-38/h3-35H,1-2H3
InChIKeyLOQDUCHMLWTKHU-UHFFFAOYSA-N
MW781.96 g/mol
LogP15.15
Rot. Bonds3

About 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (PubChem CID 170651923) has the molecular formula C57H39N3O and a molecular weight of 781.96 g/mol. Its IUPAC name is 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.

Molecular Properties

Compound Name7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
PubChem CID170651923
Molecular FormulaC57H39N3O
Molecular Weight781.96 g/mol
Exact Mass781.31
IUPAC Name7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4cccc(c4)c4cccc(c4)n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc5oc6ccc3cc6c5c4)cc21
InChIInChI=1S/C57H39N3O/c1-57(2)51-20-8-6-18-45(51)46-26-22-44(35-52(46)57)59-40-17-11-13-37(31-40)36-12-10-16-39(30-36)58(42-24-28-55-49(33-42)50-34-43(59)25-29-56(50)61-55)41-23-27-54-48(32-41)47-19-7-9-21-53(47)60(54)38-14-4-3-5-15-38/h3-35H,1-2H3
InChIKeyLOQDUCHMLWTKHU-UHFFFAOYSA-N
XLogP15.15
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.96
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene with MolForge

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Related Compounds

7-(9,9-dimethylfluoren-2-yl)-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651740
7-(9,9-dimethylfluoren-2-yl)-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651734
3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158323830
7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652102
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-2-yl)-9-naphthalen-2-ylcarbazole
CID 140907331
22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 158220015
12-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole
CID 122595550
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
2-(4-dibenzofuran-2-ylphenyl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-1-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 159534848
14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene
CID 162139305
3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 158316939

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (CID 170651923) is 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.
What is the SMILES notation for 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The canonical SMILES for 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is CC1(C)c2ccccc2-c2ccc(-n3c4cccc(c4)c4cccc(c4)n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccc5oc6ccc3cc6c5c4)cc21.
What is the InChIKey of 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The InChIKey is LOQDUCHMLWTKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3O/c1-57(2)51-20-8-6-18-45(51)46-26-22-44(35-52(46)57)59-40-17-11-13-37(31-40)36-12-10-16-39(30-36)58(42-24-28-55-49(33-42)50-34-43(59)25-29-56(50)61-55)41-23-27-54-48(32-41)47-19-7-9-21-53(47)60(54)38-14-4-3-5-15-38/h3-35H,1-2H3.
What are the key properties of 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene has a molecular weight of 781.96 g/mol, XLogP of 15.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(9,9-dimethylfluoren-2-yl)-18-(9-phenylcarbazol-3-yl)-24-oxa-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is sourced from PubChem (CID 170651923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).