N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine

C47H36N2 — CID 121343746

IUPACN-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
SMILESCC1(n2c3ccc(-c4cccc(-c5ccccc5Nc5cccc6ccccc56)c4)cc3c3c(-c4ccccc4)cccc32)C=CC=CC1
InChIInChI=1S/C47H36N2/c1-47(29-10-3-11-30-47)49-44-28-27-36(32-41(44)46-40(23-14-26-45(46)49)34-15-4-2-5-16-34)35-19-12-20-37(31-35)39-22-8-9-24-42(39)48-43-25-13-18-33-17-6-7-21-38(33)43/h2-29,31-32,48H,30H2,1H3
InChIKeyQWKFSBZQVBLNJJ-UHFFFAOYSA-N
MW628.82 g/mol
LogP12.92
Rot. Bonds6

About N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine

N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine (PubChem CID 121343746) has the molecular formula C47H36N2 and a molecular weight of 628.82 g/mol. Its IUPAC name is N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
PubChem CID121343746
Molecular FormulaC47H36N2
Molecular Weight628.82 g/mol
Exact Mass628.29
IUPAC NameN-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
SMILESCC1(n2c3ccc(-c4cccc(-c5ccccc5Nc5cccc6ccccc56)c4)cc3c3c(-c4ccccc4)cccc32)C=CC=CC1
InChIInChI=1S/C47H36N2/c1-47(29-10-3-11-30-47)49-44-28-27-36(32-41(44)46-40(23-14-26-45(46)49)34-15-4-2-5-16-34)35-19-12-20-37(31-35)39-22-8-9-24-42(39)48-43-25-13-18-33-17-6-7-21-38(33)43/h2-29,31-32,48H,30H2,1H3
InChIKeyQWKFSBZQVBLNJJ-UHFFFAOYSA-N
XLogP12.92
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 512.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-diphenylphenyl)naphthalen-1-amine
CID 174398533
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 118907859
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
N-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
CID 121343364
2-(9-methylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 144884258
5-phenanthren-3-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369812
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine (CID 121343746) is N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine is CC1(n2c3ccc(-c4cccc(-c5ccccc5Nc5cccc6ccccc56)c4)cc3c3c(-c4ccccc4)cccc32)C=CC=CC1.
What is the InChIKey of N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine?
The InChIKey is QWKFSBZQVBLNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2/c1-47(29-10-3-11-30-47)49-44-28-27-36(32-41(44)46-40(23-14-26-45(46)49)34-15-4-2-5-16-34)35-19-12-20-37(31-35)39-22-8-9-24-42(39)48-43-25-13-18-33-17-6-7-21-38(33)43/h2-29,31-32,48H,30H2,1H3.
What are the key properties of N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine?
N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine has a molecular weight of 628.82 g/mol, XLogP of 12.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[9-(1-methylcyclohexa-2,4-dien-1-yl)-5-phenylcarbazol-3-yl]phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 121343746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).