3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline

C64H54N2 — CID 167194994

IUPAC3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline
SMILESCC(C)(C)c1ccc2c3c(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)c4)cc(C(C)(C)C)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C64H54N2/c1-63(2,3)52-31-36-58-60(41-52)66(54-20-8-7-9-21-54)61-42-53(64(4,5)6)40-59(62(58)61)51-19-14-22-57(39-51)65(55-32-27-45(28-33-55)49-25-23-43-15-10-12-17-47(43)37-49)56-34-29-46(30-35-56)50-26-24-44-16-11-13-18-48(44)38-50/h7-42H,1-6H3
InChIKeyGFJBBKPKFNGASL-UHFFFAOYSA-N
MW851.15 g/mol
LogP18.16
Rot. Bonds7

About 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline

3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline (PubChem CID 167194994) has the molecular formula C64H54N2 and a molecular weight of 851.15 g/mol. Its IUPAC name is 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline
PubChem CID167194994
Molecular FormulaC64H54N2
Molecular Weight851.15 g/mol
Exact Mass850.43
IUPAC Name3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline
SMILESCC(C)(C)c1ccc2c3c(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)c4)cc(C(C)(C)C)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C64H54N2/c1-63(2,3)52-31-36-58-60(41-52)66(54-20-8-7-9-21-54)61-42-53(64(4,5)6)40-59(62(58)61)51-19-14-22-57(39-51)65(55-32-27-45(28-33-55)49-25-23-43-15-10-12-17-47(43)37-49)56-34-29-46(30-35-56)50-26-24-44-16-11-13-18-48(44)38-50/h7-42H,1-6H3
InChIKeyGFJBBKPKFNGASL-UHFFFAOYSA-N
XLogP18.16
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.15
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(2,7,9-triphenylcarbazol-4-yl)aniline
CID 166659667
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
3-(5,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167194998
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406

Frequently Asked Questions

What is the IUPAC name of 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline (CID 167194994) is 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline is CC(C)(C)c1ccc2c3c(-c4cccc(N(c5ccc(-c6ccc7ccccc7c6)cc5)c5ccc(-c6ccc7ccccc7c6)cc5)c4)cc(C(C)(C)C)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is GFJBBKPKFNGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H54N2/c1-63(2,3)52-31-36-58-60(41-52)66(54-20-8-7-9-21-54)61-42-53(64(4,5)6)40-59(62(58)61)51-19-14-22-57(39-51)65(55-32-27-45(28-33-55)49-25-23-43-15-10-12-17-47(43)37-49)56-34-29-46(30-35-56)50-26-24-44-16-11-13-18-48(44)38-50/h7-42H,1-6H3.
What are the key properties of 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 851.15 g/mol, XLogP of 18.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-ditert-butyl-9-phenylcarbazol-4-yl)-N,N-bis(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 167194994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).