24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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

C63H44N4 — CID 170652127

IUPAC24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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)c2ccc3cc2-c2cc(ccc21)N(c1ccc2c4ccccc4n(-c4ccccc4)c2c1)c1cccc(c1)-c1cccc(c1)N3c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C63H44N4/c1-63(2)57-32-28-47-37-54(57)55-38-48(29-33-58(55)63)65(50-27-31-53-51-23-9-11-25-59(51)67(62(53)40-50)44-19-7-4-8-20-44)46-22-14-16-42(36-46)41-15-13-21-45(35-41)64(47)49-30-34-61-56(39-49)52-24-10-12-26-60(52)66(61)43-17-5-3-6-18-43/h3-40H,1-2H3
InChIKeyGLVYENQPNAQLNL-UHFFFAOYSA-N
MW857.07 g/mol
LogP17.11
Rot. Bonds4

About 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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

24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 170652127) has the molecular formula C63H44N4 and a molecular weight of 857.07 g/mol. Its IUPAC name is 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 Name24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 CID170652127
Molecular FormulaC63H44N4
Molecular Weight857.07 g/mol
Exact Mass856.36
IUPAC Name24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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)c2ccc3cc2-c2cc(ccc21)N(c1ccc2c4ccccc4n(-c4ccccc4)c2c1)c1cccc(c1)-c1cccc(c1)N3c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C63H44N4/c1-63(2)57-32-28-47-37-54(57)55-38-48(29-33-58(55)63)65(50-27-31-53-51-23-9-11-25-59(51)67(62(53)40-50)44-19-7-4-8-20-44)46-22-14-16-42(36-46)41-15-13-21-45(35-41)64(47)49-30-34-61-56(39-49)52-24-10-12-26-60(52)66(61)43-17-5-3-6-18-43/h3-40H,1-2H3
InChIKeyGLVYENQPNAQLNL-UHFFFAOYSA-N
XLogP17.11
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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

24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-4-yl)-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 170652109
7-dibenzothiophen-3-yl-24,24-dimethyl-18-(9-phenylcarbazol-2-yl)-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 170651984
24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-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 170651791
7,18-bis(9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651750
24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-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 170651849
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
9-(4-carbazol-9-ylphenyl)-14-phenyl-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;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-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;9,14-diphenyl-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;9-phenyl-14-(9-phenylcarbazol-3-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 158410726
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
11-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168734
9-[14,23-di(carbazol-9-yl)-9,9,18,18,27,27-hexamethyl-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]carbazole;3-[9,9,18,18,27,27-hexamethyl-14,23-bis(9-phenylcarbazol-3-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-9-phenylcarbazole;9-[9,9,18,18,27,27-hexamethyl-14,23-bis(3-phenylcarbazol-9-yl)-5-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaenyl]-3-phenylcarbazole
CID 162229730
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 170652127) is 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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)c2ccc3cc2-c2cc(ccc21)N(c1ccc2c4ccccc4n(-c4ccccc4)c2c1)c1cccc(c1)-c1cccc(c1)N3c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 GLVYENQPNAQLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4/c1-63(2)57-32-28-47-37-54(57)55-38-48(29-33-58(55)63)65(50-27-31-53-51-23-9-11-25-59(51)67(62(53)40-50)44-19-7-4-8-20-44)46-22-14-16-42(36-46)41-15-13-21-45(35-41)64(47)49-30-34-61-56(39-49)52-24-10-12-26-60(52)66(61)43-17-5-3-6-18-43/h3-40H,1-2H3.
What are the key properties of 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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?
24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 857.07 g/mol, XLogP of 17.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-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 170652127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).