N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine

C43H33N3 — CID 163884371

IUPACN-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
SMILESCC1C=Cc2c(n(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)C1
InChIInChI=1S/C43H33N3/c1-30-21-24-37-39-29-35(23-26-42(39)46(43(37)27-30)33-17-9-4-10-18-33)44(31-13-5-2-6-14-31)34-22-25-41-38(28-34)36-19-11-12-20-40(36)45(41)32-15-7-3-8-16-32/h2-26,28-30H,27H2,1H3
InChIKeyPWBJMHFJOUEEFN-UHFFFAOYSA-N
MW591.76 g/mol
LogP11.40
Rot. Bonds5

About N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine

N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine (PubChem CID 163884371) has the molecular formula C43H33N3 and a molecular weight of 591.76 g/mol. Its IUPAC name is N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
PubChem CID163884371
Molecular FormulaC43H33N3
Molecular Weight591.76 g/mol
Exact Mass591.27
IUPAC NameN-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
SMILESCC1C=Cc2c(n(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)C1
InChIInChI=1S/C43H33N3/c1-30-21-24-37-39-29-35(23-26-42(39)46(43(37)27-30)33-17-9-4-10-18-33)44(31-13-5-2-6-14-31)34-22-25-41-38(28-34)36-19-11-12-20-40(36)45(41)32-15-7-3-8-16-32/h2-26,28-30H,27H2,1H3
InChIKeyPWBJMHFJOUEEFN-UHFFFAOYSA-N
XLogP11.40
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.76
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
3-[9-(4-dibenzofuran-2-ylphenyl)-7-methyl-7,8-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159168669
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine
CID 168814011
1-N-(5-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 91287445
2-N,2-N,6-N,6-N,9-N,9-N,10-N-heptakis-phenyl-10-N-(9-phenylcarbazol-3-yl)anthracene-2,6,9,10-tetramine
CID 172546753
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine (CID 163884371) is N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine is CC1C=Cc2c(n(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)C1.
What is the InChIKey of N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine?
The InChIKey is PWBJMHFJOUEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3/c1-30-21-24-37-39-29-35(23-26-42(39)46(43(37)27-30)33-17-9-4-10-18-33)44(31-13-5-2-6-14-31)34-22-25-41-38(28-34)36-19-11-12-20-40(36)45(41)32-15-7-3-8-16-32/h2-26,28-30H,27H2,1H3.
What are the key properties of N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine?
N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine has a molecular weight of 591.76 g/mol, XLogP of 11.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 163884371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).