9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole

C60H39N3 — CID 59399106

IUPAC9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C60H39N3/c1-4-16-40(17-5-1)43-28-31-58-52(34-43)49-22-10-13-25-55(49)61(58)46-37-47(62-56-26-14-11-23-50(56)53-35-44(29-32-59(53)62)41-18-6-2-7-19-41)39-48(38-46)63-57-27-15-12-24-51(57)54-36-45(30-33-60(54)63)42-20-8-3-9-21-42/h1-39H
InChIKeyVMDONDHSFMLXLE-UHFFFAOYSA-N
MW801.99 g/mol
LogP15.98
Rot. Bonds6

About 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole

9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole (PubChem CID 59399106) has the molecular formula C60H39N3 and a molecular weight of 801.99 g/mol. Its IUPAC name is 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
PubChem CID59399106
Molecular FormulaC60H39N3
Molecular Weight801.99 g/mol
Exact Mass801.31
IUPAC Name9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C60H39N3/c1-4-16-40(17-5-1)43-28-31-58-52(34-43)49-22-10-13-25-55(49)61(58)46-37-47(62-56-26-14-11-23-50(56)53-35-44(29-32-59(53)62)41-18-6-2-7-19-41)39-48(38-46)63-57-27-15-12-24-51(57)54-36-45(30-33-60(54)63)42-20-8-3-9-21-42/h1-39H
InChIKeyVMDONDHSFMLXLE-UHFFFAOYSA-N
XLogP15.98
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-carbazol-9-yl-5-methylphenyl)-3,6-diphenylcarbazole
CID 145158092
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
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
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole (CID 59399106) is 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole?
The InChIKey is VMDONDHSFMLXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3/c1-4-16-40(17-5-1)43-28-31-58-52(34-43)49-22-10-13-25-55(49)61(58)46-37-47(62-56-26-14-11-23-50(56)53-35-44(29-32-59(53)62)41-18-6-2-7-19-41)39-48(38-46)63-57-27-15-12-24-51(57)54-36-45(30-33-60(54)63)42-20-8-3-9-21-42/h1-39H.
What are the key properties of 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole?
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole has a molecular weight of 801.99 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 59399106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).