N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline

C45H32N2 — CID 126632612

IUPACN-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C45H32N2/c1-46(39-13-3-2-4-14-39)40-23-19-33(20-24-40)32-15-17-34(18-16-32)38-22-26-44-42(29-38)43-28-36-11-7-8-12-37(36)30-45(43)47(44)41-25-21-31-9-5-6-10-35(31)27-41/h2-30H,1H3
InChIKeyFWGFWHAEMIFNCP-UHFFFAOYSA-N
MW600.77 g/mol
LogP12.19
Rot. Bonds5

About N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline

N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline (PubChem CID 126632612) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
PubChem CID126632612
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC NameN-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C45H32N2/c1-46(39-13-3-2-4-14-39)40-23-19-33(20-24-40)32-15-17-34(18-16-32)38-22-26-44-42(29-38)43-28-36-11-7-8-12-37(36)30-45(43)47(44)41-25-21-31-9-5-6-10-35(31)27-41/h2-30H,1H3
InChIKeyFWGFWHAEMIFNCP-UHFFFAOYSA-N
XLogP12.19
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-phenyl-4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]aniline
CID 126631328
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-methyl-N-phenyl-4-[7-(3-phenylphenyl)benzo[c]carbazol-10-yl]aniline
CID 126631336
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
5-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 167032394
9-naphthalen-2-yl-14-(4-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 170927904
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline?
The IUPAC name of N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline (CID 126632612) is N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline?
The canonical SMILES for N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline is CN(c1ccccc1)c1ccc(-c2ccc(-c3ccc4c(c3)c3cc5ccccc5cc3n4-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline?
The InChIKey is FWGFWHAEMIFNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-46(39-13-3-2-4-14-39)40-23-19-33(20-24-40)32-15-17-34(18-16-32)38-22-26-44-42(29-38)43-28-36-11-7-8-12-37(36)30-45(43)47(44)41-25-21-31-9-5-6-10-35(31)27-41/h2-30H,1H3.
What are the key properties of N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline?
N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline has a molecular weight of 600.77 g/mol, XLogP of 12.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 126632612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).