N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline

C41H30N2 — CID 126631328

IUPACN-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C41H30N2/c1-42(35-16-6-3-7-17-35)36-22-19-30(20-23-36)34-21-24-40-38(27-34)39-26-32-13-8-9-14-33(32)28-41(39)43(40)37-18-10-15-31(25-37)29-11-4-2-5-12-29/h2-28H,1H3
InChIKeyHFSUNQMIJHLMJH-UHFFFAOYSA-N
MW550.71 g/mol
LogP11.04
Rot. Bonds5

About N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline

N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline (PubChem CID 126631328) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline
PubChem CID126631328
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC NameN-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C41H30N2/c1-42(35-16-6-3-7-17-35)36-22-19-30(20-23-36)34-21-24-40-38(27-34)39-26-32-13-8-9-14-33(32)28-41(39)43(40)37-18-10-15-31(25-37)29-11-4-2-5-12-29/h2-28H,1H3
InChIKeyHFSUNQMIJHLMJH-UHFFFAOYSA-N
XLogP11.04
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
CID 126632612
N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline
CID 126631336
7-[[3-[N-methyl-4-[4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]anilino]phenyl]methyl]-N-phenyl-N-(3-phenylphenyl)benzo[c]carbazol-10-amine
CID 126651817
N-methyl-N,9-diphenyl-6-(2-phenylphenyl)carbazol-3-amine;N-methyl-N,9-diphenyl-6-(3-phenylphenyl)carbazol-3-amine;N-methyl-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 160593768
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
N-methyl-N-phenyl-4-(5-phenylbenzo[h]carbazol-4-yl)aniline
CID 126631057
N-methyl-N-phenyl-7-(3-phenylphenyl)benzo[c]carbazol-11-amine
CID 126631363
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline?
The IUPAC name of N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline (CID 126631328) is N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline.
What is the SMILES notation for N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline?
The canonical SMILES for N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline is CN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2cc4ccccc4cc2n3-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline?
The InChIKey is HFSUNQMIJHLMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-42(35-16-6-3-7-17-35)36-22-19-30(20-23-36)34-21-24-40-38(27-34)39-26-32-13-8-9-14-33(32)28-41(39)43(40)37-18-10-15-31(25-37)29-11-4-2-5-12-29/h2-28H,1H3.
What are the key properties of N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline?
N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline has a molecular weight of 550.71 g/mol, XLogP of 11.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline is sourced from PubChem (CID 126631328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).