4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline

C60H46N2 — CID 59828050

IUPAC4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
SMILESCCC(C)c1ccc2c(c1)c1cc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C60H46N2/c1-3-41(2)45-31-37-57-55(39-45)56-40-46(32-38-58(56)62(57)48-21-11-6-12-22-48)42-27-33-49(34-28-42)61(47-19-9-5-10-20-47)50-35-29-44(30-36-50)60-53-25-15-13-23-51(53)59(43-17-7-4-8-18-43)52-24-14-16-26-54(52)60/h4-41H,3H2,1-2H3
InChIKeyMUSPEEHWFXKEBS-UHFFFAOYSA-N
MW795.04 g/mol
LogP17.07
Rot. Bonds9

About 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline

4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline (PubChem CID 59828050) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
PubChem CID59828050
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
SMILESCCC(C)c1ccc2c(c1)c1cc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C60H46N2/c1-3-41(2)45-31-37-57-55(39-45)56-40-46(32-38-58(56)62(57)48-21-11-6-12-22-48)42-27-33-49(34-28-42)61(47-19-9-5-10-20-47)50-35-29-44(30-36-50)60-53-25-15-13-23-51(53)59(43-17-7-4-8-18-43)52-24-14-16-26-54(52)60/h4-41H,3H2,1-2H3
InChIKeyMUSPEEHWFXKEBS-UHFFFAOYSA-N
XLogP17.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-butan-2-yl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine;6-butyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 161258382
4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]-N,N-diphenylaniline;N-[4-[6-[4-(4-butan-2-ylphenyl)phenyl]-9-(4-propan-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161492117
N-[4-[6-(4-butan-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 154597309
6-pentan-2-yl-N,N-diphenyl-9-[4-[10-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]anthracen-9-yl]phenyl]carbazol-3-amine
CID 152855009
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
CID 163736875
3-butan-2-yl-9-phenylcarbazole
CID 23520668
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 59010605
3-N-(6-butan-2-yl-9-phenylcarbazol-3-yl)-6-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
CID 89336918

Frequently Asked Questions

What is the IUPAC name of 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline?
The IUPAC name of 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline (CID 59828050) is 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline.
What is the SMILES notation for 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline?
The canonical SMILES for 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline is CCC(C)c1ccc2c(c1)c1cc(-c3ccc(N(c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline?
The InChIKey is MUSPEEHWFXKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-3-41(2)45-31-37-57-55(39-45)56-40-46(32-38-58(56)62(57)48-21-11-6-12-22-48)42-27-33-49(34-28-42)61(47-19-9-5-10-20-47)50-35-29-44(30-36-50)60-53-25-15-13-23-51(53)59(43-17-7-4-8-18-43)52-24-14-16-26-54(52)60/h4-41H,3H2,1-2H3.
What are the key properties of 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline?
4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline has a molecular weight of 795.04 g/mol, XLogP of 17.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline is sourced from PubChem (CID 59828050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).