9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole

C66H51N3 — CID 71232756

IUPAC9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C66H51N3/c1-40-31-42(3)65(43(4)32-40)48-23-28-61-56(37-48)54-35-46(21-26-60(54)68(61)51-17-11-8-12-18-51)47-22-27-62-55(36-47)57-38-49(66-44(5)33-41(2)34-45(66)6)24-29-63(57)69(62)52-25-30-64-58(39-52)53-19-13-14-20-59(53)67(64)50-15-9-7-10-16-50/h7-39H,1-6H3
InChIKeyYLRYEHFLWMVUHD-UHFFFAOYSA-N
MW886.15 g/mol
LogP17.83
Rot. Bonds6

About 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole

9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole (PubChem CID 71232756) has the molecular formula C66H51N3 and a molecular weight of 886.15 g/mol. Its IUPAC name is 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
PubChem CID71232756
Molecular FormulaC66H51N3
Molecular Weight886.15 g/mol
Exact Mass885.41
IUPAC Name9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)c(C)c1
InChIInChI=1S/C66H51N3/c1-40-31-42(3)65(43(4)32-40)48-23-28-61-56(37-48)54-35-46(21-26-60(54)68(61)51-17-11-8-12-18-51)47-22-27-62-55(36-47)57-38-49(66-44(5)33-41(2)34-45(66)6)24-29-63(57)69(62)52-25-30-64-58(39-52)53-19-13-14-20-59(53)67(64)50-15-9-7-10-16-50/h7-39H,1-6H3
InChIKeyYLRYEHFLWMVUHD-UHFFFAOYSA-N
XLogP17.83
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.15
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
3-carbazol-9-yl-6-(2,4,6-trimethylphenyl)-9H-carbazole
CID 146281218
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
3-[6-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-9H-fluoren-3-yl]-9-phenyl-6-(2,4,6-trimethylphenyl)carbazole
CID 175636434
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole (CID 71232756) is 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6c(C)cc(C)cc6C)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)c(C)c1.
What is the InChIKey of 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole?
The InChIKey is YLRYEHFLWMVUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N3/c1-40-31-42(3)65(43(4)32-40)48-23-28-61-56(37-48)54-35-46(21-26-60(54)68(61)51-17-11-8-12-18-51)47-22-27-62-55(36-47)57-38-49(66-44(5)33-41(2)34-45(66)6)24-29-63(57)69(62)52-25-30-64-58(39-52)53-19-13-14-20-59(53)67(64)50-15-9-7-10-16-50/h7-39H,1-6H3.
What are the key properties of 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole?
9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole has a molecular weight of 886.15 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-(9-phenylcarbazol-3-yl)-6-(2,4,6-trimethylphenyl)carbazol-3-yl]-6-(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 71232756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).