N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C55H40N4 — CID 90231391

IUPACN-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC(n2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c3ccc4cnn(-c5ccccc5)c4c32)=CCC1
InChIInChI=1S/C55H40N4/c1-5-13-39(14-6-1)41-21-29-47(30-22-41)57(48-31-23-42(24-32-48)40-15-7-2-8-16-40)49-33-25-43(26-34-49)44-28-36-53-52(37-44)51-35-27-45-38-56-59(50-19-11-4-12-20-50)54(45)55(51)58(53)46-17-9-3-10-18-46/h1-2,4-9,11-38H,3,10H2
InChIKeyFSXBJLPCGVPWJN-UHFFFAOYSA-N
MW756.95 g/mol
LogP14.80
Rot. Bonds8

About N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90231391) has the molecular formula C55H40N4 and a molecular weight of 756.95 g/mol. Its IUPAC name is N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID90231391
Molecular FormulaC55H40N4
Molecular Weight756.95 g/mol
Exact Mass756.33
IUPAC NameN-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC(n2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c3ccc4cnn(-c5ccccc5)c4c32)=CCC1
InChIInChI=1S/C55H40N4/c1-5-13-39(14-6-1)41-21-29-47(30-22-41)57(48-31-23-42(24-32-48)40-15-7-2-8-16-40)49-33-25-43(26-34-49)44-28-36-53-52(37-44)51-35-27-45-38-56-59(50-19-11-4-12-20-50)54(45)55(51)58(53)46-17-9-3-10-18-46/h1-2,4-9,11-38H,3,10H2
InChIKeyFSXBJLPCGVPWJN-UHFFFAOYSA-N
XLogP14.80
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(21-cyclohexa-1,5-dien-1-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 145370657
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
CID 174151922
CID 174151922
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233
N-[4-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)phenyl]-N-(9-fluoren-9-ylidenefluoren-2-yl)phenanthren-2-amine
CID 88951489
benzene;4-[6-(4-bromophenyl)-9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl]-N-methyl-N-phenylaniline
CID 145407612
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170041721
N-[4-[4-[2-(2-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876411
N-cyclohexa-1,5-dien-1-yl-4-[10-(3-dibenzothiophen-2-ylphenyl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazol-7-yl]-N-phenylaniline
CID 144788295

Frequently Asked Questions

What is the IUPAC name of N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90231391) is N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C1=CC(n2c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3c3ccc4cnn(-c5ccccc5)c4c32)=CCC1.
What is the InChIKey of N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is FSXBJLPCGVPWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4/c1-5-13-39(14-6-1)41-21-29-47(30-22-41)57(48-31-23-42(24-32-48)40-15-7-2-8-16-40)49-33-25-43(26-34-49)44-28-36-53-52(37-44)51-35-27-45-38-56-59(50-19-11-4-12-20-50)54(45)55(51)58(53)46-17-9-3-10-18-46/h1-2,4-9,11-38H,3,10H2.
What are the key properties of N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 756.95 g/mol, XLogP of 14.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(10-cyclohexa-1,5-dien-1-yl-1-phenylpyrazolo[5,4-a]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90231391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).