N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline

C37H28N2 — CID 118682488

IUPACN-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline
SMILESc1ccc(N(Cc2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2)cc1
InChIInChI=1S/C37H28N2/c1-4-15-30(16-5-1)38(31-17-6-2-7-18-31)27-29-14-10-11-21-33(29)28-24-25-35-34-22-12-13-23-36(34)39(37(35)26-28)32-19-8-3-9-20-32/h1-26H,27H2
InChIKeyUTKSCFYQMBMJDS-UHFFFAOYSA-N
MW500.65 g/mol
LogP9.79
Rot. Bonds6

About N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline

N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline (PubChem CID 118682488) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline
PubChem CID118682488
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC NameN-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline
SMILESc1ccc(N(Cc2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2)cc1
InChIInChI=1S/C37H28N2/c1-4-15-30(16-5-1)38(31-17-6-2-7-18-31)27-29-14-10-11-21-33(29)28-24-25-35-34-22-12-13-23-36(34)39(37(35)26-28)32-19-8-3-9-20-32/h1-26H,27H2
InChIKeyUTKSCFYQMBMJDS-UHFFFAOYSA-N
XLogP9.79
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)-N-[(2-phenylphenyl)methyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 176796146
2-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404973
2-[2-(2-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719061
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N-naphthalen-1-yl-N-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627950
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
2-phenyl-9-[2-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]carbazole
CID 166037119

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline?
The IUPAC name of N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline (CID 118682488) is N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline.
What is the SMILES notation for N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline?
The canonical SMILES for N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline is c1ccc(N(Cc2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline?
The InChIKey is UTKSCFYQMBMJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-4-15-30(16-5-1)38(31-17-6-2-7-18-31)27-29-14-10-11-21-33(29)28-24-25-35-34-22-12-13-23-36(34)39(37(35)26-28)32-19-8-3-9-20-32/h1-26H,27H2.
What are the key properties of N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline?
N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline has a molecular weight of 500.65 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[2-(9-phenylcarbazol-2-yl)phenyl]methyl]aniline is sourced from PubChem (CID 118682488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).