3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole

C74H60N6 — CID 139545111

IUPAC3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1ccccn1
InChIInChI=1S/C74H60N6/c1-41-14-22-61-52(31-41)53-32-42(2)15-23-62(53)77(61)71-69(51-39-49(9)76-50(10)40-51)72(78-63-24-16-43(3)33-54(63)55-34-44(4)17-25-64(55)78)74(80-67-28-20-47(7)37-58(67)59-38-48(8)21-29-68(59)80)73(70(71)60-13-11-12-30-75-60)79-65-26-18-45(5)35-56(65)57-36-46(6)19-27-66(57)79/h11-40H,1-10H3
InChIKeyVFARFGPLFREFMZ-UHFFFAOYSA-N
MW1033.34 g/mol
LogP19.28
Rot. Bonds6

About 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole

3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole (PubChem CID 139545111) has the molecular formula C74H60N6 and a molecular weight of 1033.34 g/mol. Its IUPAC name is 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole
PubChem CID139545111
Molecular FormulaC74H60N6
Molecular Weight1033.34 g/mol
Exact Mass1032.49
IUPAC Name3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1ccccn1
InChIInChI=1S/C74H60N6/c1-41-14-22-61-52(31-41)53-32-42(2)15-23-62(53)77(61)71-69(51-39-49(9)76-50(10)40-51)72(78-63-24-16-43(3)33-54(63)55-34-44(4)17-25-64(55)78)74(80-67-28-20-47(7)37-58(67)59-38-48(8)21-29-68(59)80)73(70(71)60-13-11-12-30-75-60)79-65-26-18-45(5)35-56(65)57-36-46(6)19-27-66(57)79/h11-40H,1-10H3
InChIKeyVFARFGPLFREFMZ-UHFFFAOYSA-N
XLogP19.28
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001033.34
LogP ≤ 519.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3,6-bis(2,6-dimethyl-4-pyridinyl)phenyl]carbazole
CID 151121692
2,3,4,6-tetrakis(3,6-dimethylcarbazol-9-yl)-5-pyridin-2-ylbenzonitrile
CID 156678705
3,6-dimethyl-9-[2,4,5-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenyl-4-pyridinyl)phenyl]carbazole
CID 151484643
3,6-dimethyl-9-[2,3,4-tris(3,6-dimethylcarbazol-9-yl)-5-(2,6-dimethyl-4-pyridinyl)-6-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 151051040
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146511875
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenylpyrimidin-4-yl)-5-(6-phenyl-2-pyridinyl)phenyl]carbazole
CID 151654422
9-[2-(4,6-diphenylpyrimidin-2-yl)-3,4,5-tris(3-methylcarbazol-9-yl)-6-(6-methyl-2-pyridinyl)phenyl]-3-methylcarbazole
CID 151058896
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
4-([1]benzofuro[2,3-b]pyridin-7-yl)-2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 139368536
5-carbazol-9-yl-4,6-bis(3-pyridin-2-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 170010813
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylphenyl]-3,6-dimethylcarbazole
CID 138579314
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-diphenyl-3-pyridinyl)-5-pyridin-4-ylphenyl]carbazole
CID 151600659

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole (CID 139545111) is 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(-c2cc(C)nc(C)c2)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c1-c1ccccn1.
What is the InChIKey of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole?
The InChIKey is VFARFGPLFREFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N6/c1-41-14-22-61-52(31-41)53-32-42(2)15-23-62(53)77(61)71-69(51-39-49(9)76-50(10)40-51)72(78-63-24-16-43(3)33-54(63)55-34-44(4)17-25-64(55)78)74(80-67-28-20-47(7)37-58(67)59-38-48(8)21-29-68(59)80)73(70(71)60-13-11-12-30-75-60)79-65-26-18-45(5)35-56(65)57-36-46(6)19-27-66(57)79/h11-40H,1-10H3.
What are the key properties of 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole?
3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole has a molecular weight of 1033.34 g/mol, XLogP of 19.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[2,4,6-tris(3,6-dimethylcarbazol-9-yl)-3-(2,6-dimethyl-4-pyridinyl)-5-pyridin-2-ylphenyl]carbazole is sourced from PubChem (CID 139545111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).