3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole

C48H31N — CID 176777777

IUPAC3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H31N/c1-3-13-32(14-4-1)35-25-27-42-44(30-35)48(41-21-10-9-20-40(41)47(42)36-24-23-33-15-7-8-16-34(33)29-36)37-26-28-46-43(31-37)39-19-11-12-22-45(39)49(46)38-17-5-2-6-18-38/h1-31H
InChIKeyAAWMQFIYHWIDDT-UHFFFAOYSA-N
MW621.78 g/mol
LogP13.24
Rot. Bonds4

About 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole

3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole (PubChem CID 176777777) has the molecular formula C48H31N and a molecular weight of 621.78 g/mol. Its IUPAC name is 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
PubChem CID176777777
Molecular FormulaC48H31N
Molecular Weight621.78 g/mol
Exact Mass621.25
IUPAC Name3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H31N/c1-3-13-32(14-4-1)35-25-27-42-44(30-35)48(41-21-10-9-20-40(41)47(42)36-24-23-33-15-7-8-16-34(33)29-36)37-26-28-46-43(31-37)39-19-11-12-22-45(39)49(46)38-17-5-2-6-18-38/h1-31H
InChIKeyAAWMQFIYHWIDDT-UHFFFAOYSA-N
XLogP13.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.78
LogP ≤ 513.24
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-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
ethane;4-[3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)carbazol-9-yl]benzonitrile
CID 143844229
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-(9-phenylcarbazol-3-yl)-9-(6-phenylnaphthalen-2-yl)carbazole
CID 118581886
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-[6-carbazol-9-yl-9-(3-naphthalen-2-ylphenyl)-10-phenylanthracen-2-yl]carbazole
CID 59219506
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515

Frequently Asked Questions

What is the IUPAC name of 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole?
The IUPAC name of 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole (CID 176777777) is 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole is c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3c2)cc1.
What is the InChIKey of 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole?
The InChIKey is AAWMQFIYHWIDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N/c1-3-13-32(14-4-1)35-25-27-42-44(30-35)48(41-21-10-9-20-40(41)47(42)36-24-23-33-15-7-8-16-34(33)29-36)37-26-28-46-43(31-37)39-19-11-12-22-45(39)49(46)38-17-5-2-6-18-38/h1-31H.
What are the key properties of 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole?
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole has a molecular weight of 621.78 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 176777777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).