ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine

C52H46N2 — CID 145276852

IUPACethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine
SMILESCC.Cc1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc4c(-c5ccccc5C)c(C)ccc4cc2n3-c2ccccc2)cc1C
InChIInChI=1S/C50H40N2.C2H6/c1-33-15-11-13-21-42(33)43-27-25-40(29-36(43)4)51(38-17-7-5-8-18-38)41-26-28-48-46(31-41)47-32-45-37(30-49(47)52(48)39-19-9-6-10-20-39)24-23-35(3)50(45)44-22-14-12-16-34(44)2;1-2/h5-32H,1-4H3;1-2H3
InChIKeyRUHSVWWWZQFPEP-UHFFFAOYSA-N
MW698.95 g/mol
LogP15.00
Rot. Bonds6

About ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine

ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine (PubChem CID 145276852) has the molecular formula C52H46N2 and a molecular weight of 698.95 g/mol. Its IUPAC name is ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine.

Molecular Properties

Compound Nameethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine
PubChem CID145276852
Molecular FormulaC52H46N2
Molecular Weight698.95 g/mol
Exact Mass698.37
IUPAC Nameethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine
SMILESCC.Cc1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc4c(-c5ccccc5C)c(C)ccc4cc2n3-c2ccccc2)cc1C
InChIInChI=1S/C50H40N2.C2H6/c1-33-15-11-13-21-42(33)43-27-25-40(29-36(43)4)51(38-17-7-5-8-18-38)41-26-28-48-46(31-41)47-32-45-37(30-49(47)52(48)39-19-9-6-10-20-39)24-23-35(3)50(45)44-22-14-12-16-34(44)2;1-2/h5-32H,1-4H3;1-2H3
InChIKeyRUHSVWWWZQFPEP-UHFFFAOYSA-N
XLogP15.00
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.95
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-[3-methyl-2-(2-methylphenyl)-7-phenylbenzo[c]carbazol-10-yl]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 145276983
4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
CID 163810192
6-methyl-5-(2-methylphenyl)-9-phenyl-N-(4-phenylphenyl)-N-[2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-amine
CID 145272963
buta-1,3-diene;ethane;9-[4-[10-(2-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301600
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene
CID 145407645
N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-N,9-diphenylcarbazol-3-amine
CID 167357224
3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 90154768
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730654
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine?
The IUPAC name of ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine (CID 145276852) is ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine.
What is the SMILES notation for ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine?
The canonical SMILES for ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine is CC.Cc1ccccc1-c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc4c(-c5ccccc5C)c(C)ccc4cc2n3-c2ccccc2)cc1C.
What is the InChIKey of ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine?
The InChIKey is RUHSVWWWZQFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2.C2H6/c1-33-15-11-13-21-42(33)43-27-25-40(29-36(43)4)51(38-17-7-5-8-18-38)41-26-28-48-46(31-41)47-32-45-37(30-49(47)52(48)39-19-9-6-10-20-39)24-23-35(3)50(45)44-22-14-12-16-34(44)2;1-2/h5-32H,1-4H3;1-2H3.
What are the key properties of ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine?
ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine has a molecular weight of 698.95 g/mol, XLogP of 15.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-10-(2-methylphenyl)-N,5-diphenylbenzo[b]carbazol-2-amine is sourced from PubChem (CID 145276852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).