3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole

C39H27N — CID 146650214

IUPAC3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole
SMILESC1=CC=CC(c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)C=C1
InChIInChI=1S/C39H27N/c1-2-5-15-27(14-4-1)38-31-19-8-10-21-33(31)39(34-22-11-9-20-32(34)38)28-24-25-37-35(26-28)30-18-12-13-23-36(30)40(37)29-16-6-3-7-17-29/h1-27H
InChIKeyINBWTKXFVOLFJY-UHFFFAOYSA-N
MW509.65 g/mol
LogP10.52
Rot. Bonds3

About 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole

3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole (PubChem CID 146650214) has the molecular formula C39H27N and a molecular weight of 509.65 g/mol. Its IUPAC name is 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole
PubChem CID146650214
Molecular FormulaC39H27N
Molecular Weight509.65 g/mol
Exact Mass509.21
IUPAC Name3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole
SMILESC1=CC=CC(c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)C=C1
InChIInChI=1S/C39H27N/c1-2-5-15-27(14-4-1)38-31-19-8-10-21-33(31)39(34-22-11-9-20-32(34)38)28-24-25-37-35(26-28)30-18-12-13-23-36(30)40(37)29-16-6-3-7-17-29/h1-27H
InChIKeyINBWTKXFVOLFJY-UHFFFAOYSA-N
XLogP10.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
3-(10-methylanthracen-9-yl)-9-phenylcarbazole
CID 121339805
9-phenyl-3-[9-(10-phenylanthracen-9-yl)carbazol-3-yl]carbazole
CID 168729215
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
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-[3-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 159418617
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013

Frequently Asked Questions

What is the IUPAC name of 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole?
The IUPAC name of 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole (CID 146650214) is 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole is C1=CC=CC(c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)C=C1.
What is the InChIKey of 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole?
The InChIKey is INBWTKXFVOLFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N/c1-2-5-15-27(14-4-1)38-31-19-8-10-21-33(31)39(34-22-11-9-20-32(34)38)28-24-25-37-35(26-28)30-18-12-13-23-36(30)40(37)29-16-6-3-7-17-29/h1-27H.
What are the key properties of 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole?
3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole has a molecular weight of 509.65 g/mol, XLogP of 10.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-cyclohepta-2,4,6-trien-1-ylanthracen-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 146650214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).