N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine

C50H40N2 — CID 176851039

IUPACN-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCC(C)(C)n1c2ccccc2c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4-c4ccccc4)cc3)cc21
InChIInChI=1S/C50H40N2/c1-50(2,3)52-46-21-13-12-20-44(46)45-32-26-40(34-48(45)52)37-24-30-42(31-25-37)51(41-28-22-36(23-29-41)35-14-6-4-7-15-35)47-33-27-38-16-10-11-19-43(38)49(47)39-17-8-5-9-18-39/h4-34H,1-3H3
InChIKeyUMXOPHMBEJDZIU-UHFFFAOYSA-N
MW668.88 g/mol
LogP14.17
Rot. Bonds6

About N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 176851039) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID176851039
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC NameN-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
SMILESCC(C)(C)n1c2ccccc2c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4-c4ccccc4)cc3)cc21
InChIInChI=1S/C50H40N2/c1-50(2,3)52-46-21-13-12-20-44(46)45-32-26-40(34-48(45)52)37-24-30-42(31-25-37)51(41-28-22-36(23-29-41)35-14-6-4-7-15-35)47-33-27-38-16-10-11-19-43(38)49(47)39-17-8-5-9-18-39/h4-34H,1-3H3
InChIKeyUMXOPHMBEJDZIU-UHFFFAOYSA-N
XLogP14.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenylnaphthalen-2-amine
CID 176851034
9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine
CID 176850918
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838
N-(3,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)-9-(4-phenylphenyl)carbazol-2-amine
CID 177128422
9-tert-butyl-3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole;9-tert-butyl-3-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 161436375
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N-(4-tert-butylphenyl)-16-carbazol-9-yl-N-(1-phenylnaphthalen-2-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728159
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048517
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-[4-(2,5-diphenylphenyl)phenyl]-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128347
N,17-diphenyl-N-[1-(3-phenylphenyl)naphthalen-2-yl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728735
9-tert-butyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;N,9-diphenyl-N-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 160993422

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine (CID 176851039) is N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine is CC(C)(C)n1c2ccccc2c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5ccccc5c4-c4ccccc4)cc3)cc21.
What is the InChIKey of N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is UMXOPHMBEJDZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N2/c1-50(2,3)52-46-21-13-12-20-44(46)45-32-26-40(34-48(45)52)37-24-30-42(31-25-37)51(41-28-22-36(23-29-41)35-14-6-4-7-15-35)47-33-27-38-16-10-11-19-43(38)49(47)39-17-8-5-9-18-39/h4-34H,1-3H3.
What are the key properties of N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 668.88 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 176851039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).