2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline

C54H46N2 — CID 177073327

IUPAC2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESCC(C)c1ccc2c3ccc(C(C)C)cc3n(-c3cc(-c4ccccc4)ccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C54H46N2/c1-37(2)44-24-31-49-50-32-25-45(38(3)4)35-53(50)56(52(49)34-44)54-36-46(41-18-12-7-13-19-41)26-33-51(54)55(47-27-20-42(21-28-47)39-14-8-5-9-15-39)48-29-22-43(23-30-48)40-16-10-6-11-17-40/h5-38H,1-4H3
InChIKeyNAWGEHAJAJQHSR-UHFFFAOYSA-N
MW722.98 g/mol
LogP15.50
Rot. Bonds9

About 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline

2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 177073327) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline
PubChem CID177073327
Molecular FormulaC54H46N2
Molecular Weight722.98 g/mol
Exact Mass722.37
IUPAC Name2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESCC(C)c1ccc2c3ccc(C(C)C)cc3n(-c3cc(-c4ccccc4)ccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C54H46N2/c1-37(2)44-24-31-49-50-32-25-45(38(3)4)35-53(50)56(52(49)34-44)54-36-46(41-18-12-7-13-19-41)26-33-51(54)55(47-27-20-42(21-28-47)39-14-8-5-9-15-39)48-29-22-43(23-30-48)40-16-10-6-11-17-40/h5-38H,1-4H3
InChIKeyNAWGEHAJAJQHSR-UHFFFAOYSA-N
XLogP15.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.98
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,6-diphenylcarbazol-9-yl)-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 177073316
4-phenyl-2-(3-phenylcarbazol-9-yl)-N,N-bis(4-phenylphenyl)aniline
CID 177073320
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
CID 89212986
5-(4-phenylphenyl)-3-N,3-N,8-N,8-N-tetrakis(4-propan-2-ylphenyl)benzo[b]carbazole-3,8-diamine
CID 139573036
N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037754
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)naphthalen-1-yl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine;4-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine
CID 157357490
4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158955630
1-N,1-N,6-N,6-N-tetrakis(4-phenylphenyl)-4,9-di(propan-2-yl)pyrene-1,6-diamine
CID 118929938
6-carbazol-9-yl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415263
N-(4-carbazol-9-ylnaphthalen-1-yl)-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-amine
CID 89213110

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline (CID 177073327) is 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline is CC(C)c1ccc2c3ccc(C(C)C)cc3n(-c3cc(-c4ccccc4)ccc3N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is NAWGEHAJAJQHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2/c1-37(2)44-24-31-49-50-32-25-45(38(3)4)35-53(50)56(52(49)34-44)54-36-46(41-18-12-7-13-19-41)26-33-51(54)55(47-27-20-42(21-28-47)39-14-8-5-9-15-39)48-29-22-43(23-30-48)40-16-10-6-11-17-40/h5-38H,1-4H3.
What are the key properties of 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline?
2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 722.98 g/mol, XLogP of 15.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-di(propan-2-yl)carbazol-9-yl]-4-phenyl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 177073327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).