9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C117H81N3 — CID 162257704

IUPAC9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C40H29N.C39H27N.C38H25N/c1-26-23-27(2)25-29(24-26)40-35-15-5-3-13-33(35)39(34-14-4-6-16-36(34)40)28-19-21-30(22-20-28)41-37-17-9-7-11-31(37)32-12-8-10-18-38(32)41;1-26-18-20-27(21-19-26)38-32-12-2-4-14-34(32)39(35-15-5-3-13-33(35)38)28-22-24-29(25-23-28)40-36-16-8-6-10-30(36)31-11-7-9-17-37(31)40;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h3-25H,1-2H3;2-25H,1H3;1-25H
InChIKeyZYUWYQWYYLGKBO-UHFFFAOYSA-N
MW1528.96 g/mol
LogP32.20
Rot. Bonds9

About 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 162257704) has the molecular formula C117H81N3 and a molecular weight of 1528.96 g/mol. Its IUPAC name is 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID162257704
Molecular FormulaC117H81N3
Molecular Weight1528.96 g/mol
Exact Mass1527.64
IUPAC Name9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C40H29N.C39H27N.C38H25N/c1-26-23-27(2)25-29(24-26)40-35-15-5-3-13-33(35)39(34-14-4-6-16-36(34)40)28-19-21-30(22-20-28)41-37-17-9-7-11-31(37)32-12-8-10-18-38(32)41;1-26-18-20-27(21-19-26)38-32-12-2-4-14-34(32)39(35-15-5-3-13-33(35)38)28-22-24-29(25-23-28)40-36-16-8-6-10-30(36)31-11-7-9-17-37(31)40;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h3-25H,1-2H3;2-25H,1H3;1-25H
InChIKeyZYUWYQWYYLGKBO-UHFFFAOYSA-N
XLogP32.20
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001528.96
LogP ≤ 532.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole with MolForge

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Related Compounds

3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
12,26-bis(4-methylphenyl)-2,16-diphenyl-12,26-diazaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.020,25]octacosa-1,3(15),4,6,8,10,13,16,18,20,22,24,27-tridecaene
CID 123155033
3,6-bis(3-carbazol-9-yl-5-methylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307155
9-[4-[2,3-dimethyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole
CID 58991790
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
3-[9-[4-(3,5-dimethylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134370671
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
N-(4-carbazol-9-ylphenyl)-4-(2-methyl-10-phenylanthracen-9-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-4-(3-methyl-10-phenylanthracen-9-yl)-N-phenylaniline
CID 158366051

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 162257704) is 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is Cc1cc(C)cc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)c1.Cc1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is ZYUWYQWYYLGKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N.C39H27N.C38H25N/c1-26-23-27(2)25-29(24-26)40-35-15-5-3-13-33(35)39(34-14-4-6-16-36(34)40)28-19-21-30(22-20-28)41-37-17-9-7-11-31(37)32-12-8-10-18-38(32)41;1-26-18-20-27(21-19-26)38-32-12-2-4-14-34(32)39(35-15-5-3-13-33(35)38)28-22-24-29(25-23-28)40-36-16-8-6-10-30(36)31-11-7-9-17-37(31)40;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h3-25H,1-2H3;2-25H,1H3;1-25H.
What are the key properties of 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1528.96 g/mol, XLogP of 32.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(3,5-dimethylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 162257704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).