N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine

C54H36N2 — CID 169063768

IUPACN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5c4c4ccccc4n5-c4ccc5ccccc5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-4-18-38(19-5-1)52-46-26-13-12-25-44(46)45-34-33-43(36-48(45)53(52)39-20-6-2-7-21-39)55(41-23-8-3-9-24-41)50-29-16-30-51-54(50)47-27-14-15-28-49(47)56(51)42-32-31-37-17-10-11-22-40(37)35-42/h1-36H
InChIKeyHWYIEYRFCWIGHE-UHFFFAOYSA-N
MW712.90 g/mol
LogP15.05
Rot. Bonds6

About N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine

N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine (PubChem CID 169063768) has the molecular formula C54H36N2 and a molecular weight of 712.90 g/mol. Its IUPAC name is N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
PubChem CID169063768
Molecular FormulaC54H36N2
Molecular Weight712.90 g/mol
Exact Mass712.29
IUPAC NameN-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5c4c4ccccc4n5-c4ccc5ccccc5c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C54H36N2/c1-4-18-38(19-5-1)52-46-26-13-12-25-44(46)45-34-33-43(36-48(45)53(52)39-20-6-2-7-21-39)55(41-23-8-3-9-24-41)50-29-16-30-51-54(50)47-27-14-15-28-49(47)56(51)42-32-31-37-17-10-11-22-40(37)35-42/h1-36H
InChIKeyHWYIEYRFCWIGHE-UHFFFAOYSA-N
XLogP15.05
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 515.05
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

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N,9-diphenylcarbazol-4-amine
CID 169064644
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-9-naphthalen-2-yl-N-phenylcarbazol-2-amine
CID 169062083
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-2-amine;N-phenyl-N,9-bis(4-phenylphenyl)carbazol-4-amine
CID 160619067
N-naphthalen-2-yl-9,10-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-2-amine
CID 169065150
N-(9,10-diphenylphenanthren-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 169065449
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
CID 169062808
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-3-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 169063501
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165006232
6-bromo-N-naphthalen-1-yl-N,9,10-triphenylanthracen-2-amine;4-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[3-(4-bromophenyl)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 158474147
N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
CID 126631465

Frequently Asked Questions

What is the IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine?
The IUPAC name of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine (CID 169063768) is N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine.
What is the SMILES notation for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine?
The canonical SMILES for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine is c1ccc(-c2c(-c3ccccc3)c3cc(N(c4ccccc4)c4cccc5c4c4ccccc4n5-c4ccc5ccccc5c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine?
The InChIKey is HWYIEYRFCWIGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2/c1-4-18-38(19-5-1)52-46-26-13-12-25-44(46)45-34-33-43(36-48(45)53(52)39-20-6-2-7-21-39)55(41-23-8-3-9-24-41)50-29-16-30-51-54(50)47-27-14-15-28-49(47)56(51)42-32-31-37-17-10-11-22-40(37)35-42/h1-36H.
What are the key properties of N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine?
N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine has a molecular weight of 712.90 g/mol, XLogP of 15.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-diphenylphenanthren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine is sourced from PubChem (CID 169063768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).