9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole

C50H32N2 — CID 168729215

IUPAC9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3ccccc23)cc1
InChIInChI=1S/C50H32N2/c1-3-15-33(16-4-1)49-39-21-7-9-23-41(39)50(42-24-10-8-22-40(42)49)52-46-26-14-12-20-38(46)44-32-35(28-30-48(44)52)34-27-29-47-43(31-34)37-19-11-13-25-45(37)51(47)36-17-5-2-6-18-36/h1-32H
InChIKeyAGCBCXSTITWXDH-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.52
Rot. Bonds4

About 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole

9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole (PubChem CID 168729215) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
PubChem CID168729215
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3ccccc23)cc1
InChIInChI=1S/C50H32N2/c1-3-15-33(16-4-1)49-39-21-7-9-23-41(39)50(42-24-10-8-22-40(42)49)52-46-26-14-12-20-38(46)44-32-35(28-30-48(44)52)34-27-29-47-43(31-34)37-19-11-13-25-45(37)51(47)36-17-5-2-6-18-36/h1-32H
InChIKeyAGCBCXSTITWXDH-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(10-phenylanthracen-9-yl)-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729209
3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
CID 118084392
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
9-[10-(2,6,10-triphenylanthracen-9-yl)anthracen-9-yl]carbazole
CID 130377424
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-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole (CID 168729215) is 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole is c1ccc(-c2c3ccccc3c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole?
The InChIKey is AGCBCXSTITWXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-15-33(16-4-1)49-39-21-7-9-23-41(39)50(42-24-10-8-22-40(42)49)52-46-26-14-12-20-38(46)44-32-35(28-30-48(44)52)34-27-29-47-43(31-34)37-19-11-13-25-45(37)51(47)36-17-5-2-6-18-36/h1-32H.
What are the key properties of 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole?
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 168729215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).