9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole

C51H35N — CID 129084995

IUPAC9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(C(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C51H35N/c1-3-15-35(16-4-1)49(38-31-33-40(34-32-38)52-47-25-13-11-19-41(47)42-20-12-14-26-48(42)52)37-27-29-39(30-28-37)51-45-23-9-7-21-43(45)50(36-17-5-2-6-18-36)44-22-8-10-24-46(44)51/h1-34,49H
InChIKeyFVHXMFKCUCCBED-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.60
Rot. Bonds6

About 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole

9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole (PubChem CID 129084995) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole
PubChem CID129084995
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC Name9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(C(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C51H35N/c1-3-15-35(16-4-1)49(38-31-33-40(34-32-38)52-47-25-13-11-19-41(47)42-20-12-14-26-48(42)52)37-27-29-39(30-28-37)51-45-23-9-7-21-43(45)50(36-17-5-2-6-18-36)44-22-8-10-24-46(44)51/h1-34,49H
InChIKeyFVHXMFKCUCCBED-UHFFFAOYSA-N
XLogP13.60
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-phenylcarbazole
CID 139542507
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
9-(4-benzhydrylphenyl)-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 134168075
2-benzhydryl-1,3-diphenylindole
CID 102040696
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
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetraphenylphenyl]carbazole
CID 89408652
2,3-bis[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;2-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]quinoxaline
CID 164980722
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607

Frequently Asked Questions

What is the IUPAC name of 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole?
The IUPAC name of 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole (CID 129084995) is 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(C(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole?
The InChIKey is FVHXMFKCUCCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-3-15-35(16-4-1)49(38-31-33-40(34-32-38)52-47-25-13-11-19-41(47)42-20-12-14-26-48(42)52)37-27-29-39(30-28-37)51-45-23-9-7-21-43(45)50(36-17-5-2-6-18-36)44-22-8-10-24-46(44)51/h1-34,49H.
What are the key properties of 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole?
9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole has a molecular weight of 661.85 g/mol, XLogP of 13.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[phenyl-[4-(10-phenylanthracen-9-yl)phenyl]methyl]phenyl]carbazole is sourced from PubChem (CID 129084995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).