N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

C50H42N2 — CID 170297517

IUPACN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESCC(C)(C)C1=CC=C(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)CC1
InChIInChI=1S/C50H42N2/c1-50(2,3)37-28-30-39(31-29-37)51(40-32-33-44-42-22-10-13-27-47(42)52(48(44)34-40)38-20-8-5-9-21-38)46-26-12-11-23-43(46)45-25-15-19-36-18-14-24-41(49(36)45)35-16-6-4-7-17-35/h4-28,30,32-34H,29,31H2,1-3H3
InChIKeyZHRUTMXRQLJQSE-UHFFFAOYSA-N
MW670.90 g/mol
LogP14.06
Rot. Bonds6

About N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (PubChem CID 170297517) has the molecular formula C50H42N2 and a molecular weight of 670.90 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
PubChem CID170297517
Molecular FormulaC50H42N2
Molecular Weight670.90 g/mol
Exact Mass670.33
IUPAC NameN-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESCC(C)(C)C1=CC=C(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)CC1
InChIInChI=1S/C50H42N2/c1-50(2,3)37-28-30-39(31-29-37)51(40-32-33-44-42-22-10-13-27-47(42)52(48(44)34-40)38-20-8-5-9-21-38)46-26-12-11-23-43(46)45-25-15-19-36-18-14-24-41(49(36)45)35-16-6-4-7-17-35/h4-28,30,32-34H,29,31H2,1-3H3
InChIKeyZHRUTMXRQLJQSE-UHFFFAOYSA-N
XLogP14.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.90
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170297134
N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297416
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170297250
N-dibenzofuran-3-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298904
N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170297506
4-tert-butyl-2-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297188
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298069
3,5-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298338
N-(3-phenanthren-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303126
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580
N-(4-phenanthren-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303107
N,2-diphenyl-N-[4-[8-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]aniline
CID 169016116

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (CID 170297517) is N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is CC(C)(C)C1=CC=C(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The InChIKey is ZHRUTMXRQLJQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2/c1-50(2,3)37-28-30-39(31-29-37)51(40-32-33-44-42-22-10-13-27-47(42)52(48(44)34-40)38-20-8-5-9-21-38)46-26-12-11-23-43(46)45-25-15-19-36-18-14-24-41(49(36)45)35-16-6-4-7-17-35/h4-28,30,32-34H,29,31H2,1-3H3.
What are the key properties of N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine has a molecular weight of 670.90 g/mol, XLogP of 14.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 170297517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).