3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole

C49H33N3 — CID 170224676

IUPAC3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C49H33N3/c1-32-15-14-28-48-49(32)39-21-7-13-27-46(39)52(48)44-25-11-5-19-37(44)36-18-4-10-24-43(36)51-45-26-12-6-20-38(45)40-31-33(29-30-47(40)51)50-41-22-8-2-16-34(41)35-17-3-9-23-42(35)50/h2-31H,1H3
InChIKeyHGSRICXQYKGYDW-UHFFFAOYSA-N
MW663.82 g/mol
LogP12.95
Rot. Bonds4

About 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole

3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 170224676) has the molecular formula C49H33N3 and a molecular weight of 663.82 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID170224676
Molecular FormulaC49H33N3
Molecular Weight663.82 g/mol
Exact Mass663.27
IUPAC Name3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole
SMILESCc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C49H33N3/c1-32-15-14-28-48-49(32)39-21-7-13-27-46(39)52(48)44-25-11-5-19-37(44)36-18-4-10-24-43(36)51-45-26-12-6-20-38(45)40-31-33(29-30-47(40)51)50-41-22-8-2-16-34(41)35-17-3-9-23-42(35)50/h2-31H,1H3
InChIKeyHGSRICXQYKGYDW-UHFFFAOYSA-N
XLogP12.95
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;2-carbazol-9-yl-9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 161184610
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
3-carbazol-9-yl-9-[9-(2,6-diphenylphenyl)carbazol-4-yl]carbazole
CID 170374891
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
9-[2-[4-methyl-3-[4-(4-methylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 163806993
9-dibenzofuran-2-yl-4-methylcarbazole
CID 134235790
3-(2-carbazol-9-ylphenyl)-9-(2-methylphenyl)carbazole
CID 164986167
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole (CID 170224676) is 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole is Cc1cccc2c1c1ccccc1n2-c1ccccc1-c1ccccc1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is HGSRICXQYKGYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N3/c1-32-15-14-28-48-49(32)39-21-7-13-27-46(39)52(48)44-25-11-5-19-37(44)36-18-4-10-24-43(36)51-45-26-12-6-20-38(45)40-31-33(29-30-47(40)51)50-41-22-8-2-16-34(41)35-17-3-9-23-42(35)50/h2-31H,1H3.
What are the key properties of 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole?
3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 663.82 g/mol, XLogP of 12.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[2-[2-(4-methylcarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 170224676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).