4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine

C60H40N4 — CID 154965993

IUPAC4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C60H40N4/c1-4-20-41(21-5-1)46-26-10-15-31-52(46)61(44-36-37-50-49-29-11-16-32-53(49)62(57(50)38-44)42-22-6-2-7-23-42)45-39-58-60(51-30-14-19-35-56(51)63(58)43-24-8-3-9-25-43)59(40-45)64-54-33-17-12-27-47(54)48-28-13-18-34-55(48)64/h1-40H
InChIKeyADVNTTOEPNARTO-UHFFFAOYSA-N
MW817.01 g/mol
LogP16.11
Rot. Bonds7

About 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine

4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine (PubChem CID 154965993) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine
PubChem CID154965993
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C60H40N4/c1-4-20-41(21-5-1)46-26-10-15-31-52(46)61(44-36-37-50-49-29-11-16-32-53(49)62(57(50)38-44)42-22-6-2-7-23-42)45-39-58-60(51-30-14-19-35-56(51)63(58)43-24-8-3-9-25-43)59(40-45)64-54-33-17-12-27-47(54)48-28-13-18-34-55(48)64/h1-40H
InChIKeyADVNTTOEPNARTO-UHFFFAOYSA-N
XLogP16.11
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N-(2-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009864
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172503107
5-carbazol-9-yl-1-N,3-N-bis(3-carbazol-9-yl-4-phenylphenyl)-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 177279545
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 170286785
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258182
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine?
The IUPAC name of 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine (CID 154965993) is 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccccc2N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cc(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine?
The InChIKey is ADVNTTOEPNARTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-4-20-41(21-5-1)46-26-10-15-31-52(46)61(44-36-37-50-49-29-11-16-32-53(49)62(57(50)38-44)42-22-6-2-7-23-42)45-39-58-60(51-30-14-19-35-56(51)63(58)43-24-8-3-9-25-43)59(40-45)64-54-33-17-12-27-47(54)48-28-13-18-34-55(48)64/h1-40H.
What are the key properties of 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine?
4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine has a molecular weight of 817.01 g/mol, XLogP of 16.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(2-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 154965993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).