N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C52H42N2 — CID 176781077

IUPACN-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC(C)(C)c1c(-c2ccccc2)ccc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C52H42N2/c1-52(2,3)50-44(39-20-10-5-11-21-39)34-35-45(40-22-12-6-13-23-40)51(50)53(42-30-28-38(29-31-42)37-18-8-4-9-19-37)43-32-33-47-46-26-16-17-27-48(46)54(49(47)36-43)41-24-14-7-15-25-41/h4-36H,1-3H3
InChIKeyHNYSWEZAXIWGRO-UHFFFAOYSA-N
MW694.92 g/mol
LogP14.55
Rot. Bonds7

About N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 176781077) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID176781077
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC NameN-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCC(C)(C)c1c(-c2ccccc2)ccc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C52H42N2/c1-52(2,3)50-44(39-20-10-5-11-21-39)34-35-45(40-22-12-6-13-23-40)51(50)53(42-30-28-38(29-31-42)37-18-8-4-9-19-37)43-32-33-47-46-26-16-17-27-48(46)54(49(47)36-43)41-24-14-7-15-25-41/h4-36H,1-3H3
InChIKeyHNYSWEZAXIWGRO-UHFFFAOYSA-N
XLogP14.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 514.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine with MolForge

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Related Compounds

9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287924
N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287921
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 176781077) is N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is CC(C)(C)c1c(-c2ccccc2)ccc(-c2ccccc2)c1N(c1ccc(-c2ccccc2)cc1)c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is HNYSWEZAXIWGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-52(2,3)50-44(39-20-10-5-11-21-39)34-35-45(40-22-12-6-13-23-40)51(50)53(42-30-28-38(29-31-42)37-18-8-4-9-19-37)43-32-33-47-46-26-16-17-27-48(46)54(49(47)36-43)41-24-14-7-15-25-41/h4-36H,1-3H3.
What are the key properties of N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 694.92 g/mol, XLogP of 14.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3,6-diphenylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 176781077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).