N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine

C60H44N4 — CID 130453118

IUPACN,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine
SMILESC1=C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)CCc2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C60H44N4/c1-5-17-45(18-6-1)61(51-37-39-55-53-25-13-15-27-57(53)63(59(55)41-51)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-56-54-26-14-16-28-58(54)64(60(56)42-52)48-23-11-4-12-24-48/h1-37,39,41-42H,38,40H2
InChIKeyIQNNIQAMFBKFSX-UHFFFAOYSA-N
MW821.04 g/mol
LogP15.99
Rot. Bonds9

About N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine

N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine (PubChem CID 130453118) has the molecular formula C60H44N4 and a molecular weight of 821.04 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine
PubChem CID130453118
Molecular FormulaC60H44N4
Molecular Weight821.04 g/mol
Exact Mass820.36
IUPAC NameN,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine
SMILESC1=C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)CCc2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C60H44N4/c1-5-17-45(18-6-1)61(51-37-39-55-53-25-13-15-27-57(53)63(59(55)41-51)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-56-54-26-14-16-28-58(54)64(60(56)42-52)48-23-11-4-12-24-48/h1-37,39,41-42H,38,40H2
InChIKeyIQNNIQAMFBKFSX-UHFFFAOYSA-N
XLogP15.99
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.04
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
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
9-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 145377441
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-[4-[2-(4-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)-3,4-dihydrocarbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 88869766
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine (CID 130453118) is N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine is C1=C(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)cc2)CCc2c1n(-c1ccccc1)c1ccccc21.
What is the InChIKey of N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine?
The InChIKey is IQNNIQAMFBKFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N4/c1-5-17-45(18-6-1)61(51-37-39-55-53-25-13-15-27-57(53)63(59(55)41-51)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-56-54-26-14-16-28-58(54)64(60(56)42-52)48-23-11-4-12-24-48/h1-37,39,41-42H,38,40H2.
What are the key properties of N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine?
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine has a molecular weight of 821.04 g/mol, XLogP of 15.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-[4-(N-(9-phenyl-3,4-dihydrocarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine is sourced from PubChem (CID 130453118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).