N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline

C41H30N2 — CID 126631336

IUPACN-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C41H30N2/c1-42(34-15-6-3-7-16-34)35-23-19-30(20-24-35)33-22-25-39-38(28-33)41-37-18-9-8-13-31(37)21-26-40(41)43(39)36-17-10-14-32(27-36)29-11-4-2-5-12-29/h2-28H,1H3
InChIKeyNQITXFUATJBTSJ-UHFFFAOYSA-N
MW550.71 g/mol
LogP11.04
Rot. Bonds5

About N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline

N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline (PubChem CID 126631336) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline
PubChem CID126631336
Molecular FormulaC41H30N2
Molecular Weight550.71 g/mol
Exact Mass550.24
IUPAC NameN-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C41H30N2/c1-42(34-15-6-3-7-16-34)35-23-19-30(20-24-35)33-22-25-39-38(28-33)41-37-18-9-8-13-31(37)21-26-40(41)43(39)36-17-10-14-32(27-36)29-11-4-2-5-12-29/h2-28H,1H3
InChIKeyNQITXFUATJBTSJ-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

7-phenyl-10-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 129290171
N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline
CID 126631328
N-phenyl-4-(7-phenylbenzo[c]carbazol-10-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 130265731
N-methyl-N-phenyl-7-(3-phenylphenyl)benzo[c]carbazol-11-amine
CID 126631363
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154589180
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-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
CID 126632612
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910
N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenanthren-4-amine
CID 135271748
N,3-diphenyl-N-[3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 139500098
16-naphthalen-2-yl-12-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 147057868

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline?
The IUPAC name of N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline (CID 126631336) is N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline.
What is the SMILES notation for N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline?
The canonical SMILES for N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline is CN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline?
The InChIKey is NQITXFUATJBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N2/c1-42(34-15-6-3-7-16-34)35-23-19-30(20-24-35)33-22-25-39-38(28-33)41-37-18-9-8-13-31(37)21-26-40(41)43(39)36-17-10-14-32(27-36)29-11-4-2-5-12-29/h2-28H,1H3.
What are the key properties of N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline?
N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-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-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline is sourced from PubChem (CID 126631336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).