9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine

C74H60N4 — CID 155010222

IUPAC9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
SMILESCC1CC(c2ccccc2)=CC=C1N(c1ccc2c(c1)c1ccccc1n2C1=CC=CCC1)c1ccccc1-c1ccccc1N(C1=CC(C)C(c2ccccc2)C=C1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C74H60N4/c1-51-48-58(40-43-61(51)54-25-9-4-10-26-54)75(59-41-45-73-66(49-59)64-33-17-21-37-71(64)76(73)56-27-11-5-12-28-56)69-35-19-15-31-62(69)63-32-16-20-36-70(63)78(68-44-39-55(47-52(68)2)53-23-7-3-8-24-53)60-42-46-74-67(50-60)65-34-18-22-38-72(65)77(74)57-29-13-6-14-30-57/h3-13,15-29,31-46,48-52,61H,14,30,47H2,1-2H3
InChIKeyUOZLIWLRVAYBIE-UHFFFAOYSA-N
MW1005.32 g/mol
LogP19.91
Rot. Bonds11

About 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine

9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine (PubChem CID 155010222) has the molecular formula C74H60N4 and a molecular weight of 1005.32 g/mol. Its IUPAC name is 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
PubChem CID155010222
Molecular FormulaC74H60N4
Molecular Weight1005.32 g/mol
Exact Mass1004.48
IUPAC Name9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine
SMILESCC1CC(c2ccccc2)=CC=C1N(c1ccc2c(c1)c1ccccc1n2C1=CC=CCC1)c1ccccc1-c1ccccc1N(C1=CC(C)C(c2ccccc2)C=C1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C74H60N4/c1-51-48-58(40-43-61(51)54-25-9-4-10-26-54)75(59-41-45-73-66(49-59)64-33-17-21-37-71(64)76(73)56-27-11-5-12-28-56)69-35-19-15-31-62(69)63-32-16-20-36-70(63)78(68-44-39-55(47-52(68)2)53-23-7-3-8-24-53)60-42-46-74-67(50-60)65-34-18-22-38-72(65)77(74)57-29-13-6-14-30-57/h3-13,15-29,31-46,48-52,61H,14,30,47H2,1-2H3
InChIKeyUOZLIWLRVAYBIE-UHFFFAOYSA-N
XLogP19.91
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.32
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine with MolForge

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Related Compounds

9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 70821591
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazol-3-amine
CID 89163979
9,9-dimethyl-N-[6-methyl-4-(9-phenylcarbazol-3-yl)cyclohexa-1,3-dien-1-yl]-N-phenylfluoren-2-amine
CID 134389254
N-[4-[6-methyl-4-(4-phenyl-N-(4-phenylphenyl)anilino)cyclohexa-2,4-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 130349362
9-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134442711
N-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
CID 170286545
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 67892046
3-[9-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142364492
3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]carbazole
CID 145077522
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-6-(9-phenylcarbazol-3-yl)-4a,5-dihydronaphthalen-1-amine
CID 89233993
9-phenyl-N-(2-phenylphenyl)-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-ylcarbazol-3-amine
CID 166705704
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine?
The IUPAC name of 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine (CID 155010222) is 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine is CC1CC(c2ccccc2)=CC=C1N(c1ccc2c(c1)c1ccccc1n2C1=CC=CCC1)c1ccccc1-c1ccccc1N(C1=CC(C)C(c2ccccc2)C=C1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine?
The InChIKey is UOZLIWLRVAYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60N4/c1-51-48-58(40-43-61(51)54-25-9-4-10-26-54)75(59-41-45-73-66(49-59)64-33-17-21-37-71(64)76(73)56-27-11-5-12-28-56)69-35-19-15-31-62(69)63-32-16-20-36-70(63)78(68-44-39-55(47-52(68)2)53-23-7-3-8-24-53)60-42-46-74-67(50-60)65-34-18-22-38-72(65)77(74)57-29-13-6-14-30-57/h3-13,15-29,31-46,48-52,61H,14,30,47H2,1-2H3.
What are the key properties of 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine?
9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine has a molecular weight of 1005.32 g/mol, XLogP of 19.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-1,3-dien-1-yl-N-(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-N-[2-[2-[(3-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-(9-phenylcarbazol-3-yl)amino]phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 155010222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).