9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine

C56H38N2 — CID 135128967

IUPAC9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
SMILESC1=Cc2c(c3ccc(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3n2-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)CC1
InChIInChI=1S/C56H38N2/c1-2-14-43(15-3-1)57(45-28-30-51-49-18-7-6-16-47(49)48-17-8-9-19-50(48)54(51)35-45)46-29-31-53-52-20-10-11-21-55(52)58(56(53)36-46)44-27-26-38-23-25-41(33-42(38)34-44)40-24-22-37-12-4-5-13-39(37)32-40/h1-9,11-19,21-36H,10,20H2
InChIKeySIZSFPACDFVQFB-UHFFFAOYSA-N
MW738.93 g/mol
LogP15.49
Rot. Bonds5

About 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine

9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine (PubChem CID 135128967) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine.

Molecular Properties

Compound Name9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
PubChem CID135128967
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine
SMILESC1=Cc2c(c3ccc(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3n2-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)CC1
InChIInChI=1S/C56H38N2/c1-2-14-43(15-3-1)57(45-28-30-51-49-18-7-6-16-47(49)48-17-8-9-19-50(48)54(51)35-45)46-29-31-53-52-20-10-11-21-55(52)58(56(53)36-46)44-27-26-38-23-25-41(33-42(38)34-44)40-24-22-37-12-4-5-13-39(37)32-40/h1-9,11-19,21-36H,10,20H2
InChIKeySIZSFPACDFVQFB-UHFFFAOYSA-N
XLogP15.49
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
3-(9-naphthalen-2-yl-5,6-dihydrocarbazol-2-yl)-5-phenylpyrido[3,2-b]indole
CID 118587825
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
CID 169062083
N,N,7,9-tetranaphthalen-2-ylcarbazol-2-amine
CID 146573842
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383

Frequently Asked Questions

What is the IUPAC name of 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine?
The IUPAC name of 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine (CID 135128967) is 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine.
What is the SMILES notation for 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine?
The canonical SMILES for 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine is C1=Cc2c(c3ccc(N(c4ccccc4)c4ccc5c6ccccc6c6ccccc6c5c4)cc3n2-c2ccc3ccc(-c4ccc5ccccc5c4)cc3c2)CC1.
What is the InChIKey of 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine?
The InChIKey is SIZSFPACDFVQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-2-14-43(15-3-1)57(45-28-30-51-49-18-7-6-16-47(49)48-17-8-9-19-50(48)54(51)35-45)46-29-31-53-52-20-10-11-21-55(52)58(56(53)36-46)44-27-26-38-23-25-41(33-42(38)34-44)40-24-22-37-12-4-5-13-39(37)32-40/h1-9,11-19,21-36H,10,20H2.
What are the key properties of 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine?
9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine has a molecular weight of 738.93 g/mol, XLogP of 15.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-naphthalen-2-ylnaphthalen-2-yl)-N-phenyl-N-triphenylen-2-yl-5,6-dihydrocarbazol-2-amine is sourced from PubChem (CID 135128967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).