4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine

C60H61N3 — CID 144601194

IUPAC4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine
SMILESCC1(C)C2=CC(N(C3C=CC(N(C4=CCC(n5c6c(c7c5CCC5=C7C(C)(C)c7ccccc75)CCC=C6)C=C4)c4ccccc4)=CC3)C3C=CCCC3)CC=C2c2ccccc21
InChIInChI=1S/C60H61N3/c1-59(2)52-24-14-11-21-47(52)49-36-35-46(39-54(49)59)62(41-19-9-6-10-20-41)44-29-27-42(28-30-44)61(40-17-7-5-8-18-40)43-31-33-45(34-32-43)63-55-26-16-13-23-51(55)57-56(63)38-37-50-48-22-12-15-25-53(48)60(3,4)58(50)57/h5,7-9,11-12,14-19,21-22,24-29,31-33,36,39,41,44-46H,6,10,13,20,23,30,34-35,37-38H2,1-4H3
InChIKeyJYPFMSWWWVTGBP-UHFFFAOYSA-N
MW824.17 g/mol
LogP14.18
Rot. Bonds7

About 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine

4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 144601194) has the molecular formula C60H61N3 and a molecular weight of 824.17 g/mol. Its IUPAC name is 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine
PubChem CID144601194
Molecular FormulaC60H61N3
Molecular Weight824.17 g/mol
Exact Mass823.49
IUPAC Name4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine
SMILESCC1(C)C2=CC(N(C3C=CC(N(C4=CCC(n5c6c(c7c5CCC5=C7C(C)(C)c7ccccc75)CCC=C6)C=C4)c4ccccc4)=CC3)C3C=CCCC3)CC=C2c2ccccc21
InChIInChI=1S/C60H61N3/c1-59(2)52-24-14-11-21-47(52)49-36-35-46(39-54(49)59)62(41-19-9-6-10-20-41)44-29-27-42(28-30-44)61(40-17-7-5-8-18-40)43-31-33-45(34-32-43)63-55-26-16-13-23-51(55)57-56(63)38-37-50-48-22-12-15-25-53(48)60(3,4)58(50)57/h5,7-9,11-12,14-19,21-22,24-29,31-33,36,39,41,44-46H,6,10,13,20,23,30,34-35,37-38H2,1-4H3
InChIKeyJYPFMSWWWVTGBP-UHFFFAOYSA-N
XLogP14.18
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.17
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine with MolForge

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Related Compounds

7-N-cyclohexa-1,3-dien-1-yl-2-N-cyclohexa-1,5-dien-1-yl-9,9-dimethyl-2-N,7-N-diphenyl-2,3-dihydrofluorene-2,7-diamine
CID 70965419
N-cyclohexa-1,5-dien-1-yl-7-[2-[4-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]ethyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
CID 71016274
4-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-[4-[(2E,4Z)-5-methyl-6-(2-methylphenyl)hexa-2,4-dien-2-yl]phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 144660511
9,9-dimethyl-2-N,2-N,5-N,5-N-tetraphenyl-2,3-dihydrofluorene-2,5-diamine
CID 146269900
7-[(E)-2-[4-[cyclohexa-2,4-dien-1-yl-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)amino]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89178599
3-[9-[4-(8,9-dihydrodibenzothiophen-4-yl)-3-methyl-2,4-dihydro-1H-quinazolin-2-yl]-1,2,7,8-tetrahydrocarbazol-3-yl]-9-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1,2-dihydrocarbazole
CID 70913054
N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 155114303
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]-2,3-dihydrofluoren-2-amine
CID 70870283
N-[4-(10,10-dimethyl-5-phenylindeno[1,2-b]indol-8-yl)phenyl]-9,9-dimethyl-N-phenyl-2,3-dihydrofluoren-2-amine
CID 137397140
N-cyclohexa-2,4-dien-1-yl-N-(6-methylcyclohexen-1-yl)-4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-amine
CID 170096068
9-N-(3-methylcyclohexa-1,5-dien-1-yl)-9-N,10-N,10-N-triphenyl-1,2-dihydroanthracene-9,10-diamine
CID 166844824
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydrofluoren-2-amine
CID 145019600

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine (CID 144601194) is 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine is CC1(C)C2=CC(N(C3C=CC(N(C4=CCC(n5c6c(c7c5CCC5=C7C(C)(C)c7ccccc75)CCC=C6)C=C4)c4ccccc4)=CC3)C3C=CCCC3)CC=C2c2ccccc21.
What is the InChIKey of 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is JYPFMSWWWVTGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H61N3/c1-59(2)52-24-14-11-21-47(52)49-36-35-46(39-54(49)59)62(41-19-9-6-10-20-41)44-29-27-42(28-30-44)61(40-17-7-5-8-18-40)43-31-33-45(34-32-43)63-55-26-16-13-23-51(55)57-56(63)38-37-50-48-22-12-15-25-53(48)60(3,4)58(50)57/h5,7-9,11-12,14-19,21-22,24-29,31-33,36,39,41,44-46H,6,10,13,20,23,30,34-35,37-38H2,1-4H3.
What are the key properties of 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine?
4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 824.17 g/mol, XLogP of 14.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohex-2-en-1-yl-4-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-1-N-[4-(12,12-dimethyl-1,2,6,7-tetrahydroindeno[1,2-c]carbazol-5-yl)cyclohexa-1,5-dien-1-yl]-1-N-phenylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 144601194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).