3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole

C72H58N4 — CID 146280210

IUPAC3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole
SMILESCC1C=C(c2ccc3c(c2)C2=CC(C4=CC5C6=C(CCC(c7ccccc7)=C6)N(c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)C5C=C4)=CCC2N3c2ccc(-c3ccccn3)cc2)CCC1
InChIInChI=1S/C72H58N4/c1-47-14-13-19-51(40-47)54-27-35-67-61(43-54)62-44-55(28-36-68(62)75(67)58-30-23-50(24-31-58)66-22-11-12-39-73-66)56-29-37-71-63(45-56)60-41-52(48-15-5-2-6-16-48)26-34-70(60)76(71)59-32-38-72-65(46-59)64-42-53(49-17-7-3-8-18-49)25-33-69(64)74(72)57-20-9-4-10-21-57/h2-12,15-18,20-25,27-33,35,37-47,63,68,71H,13-14,19,26,34,36H2,1H3
InChIKeyFEDDNEXNWOOYJC-UHFFFAOYSA-N
MW979.28 g/mol
LogP18.08
Rot. Bonds8

About 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole

3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole (PubChem CID 146280210) has the molecular formula C72H58N4 and a molecular weight of 979.28 g/mol. Its IUPAC name is 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole
PubChem CID146280210
Molecular FormulaC72H58N4
Molecular Weight979.28 g/mol
Exact Mass978.47
IUPAC Name3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole
SMILESCC1C=C(c2ccc3c(c2)C2=CC(C4=CC5C6=C(CCC(c7ccccc7)=C6)N(c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)C5C=C4)=CCC2N3c2ccc(-c3ccccn3)cc2)CCC1
InChIInChI=1S/C72H58N4/c1-47-14-13-19-51(40-47)54-27-35-67-61(43-54)62-44-55(28-36-68(62)75(67)58-30-23-50(24-31-58)66-22-11-12-39-73-66)56-29-37-71-63(45-56)60-41-52(48-15-5-2-6-16-48)26-34-70(60)76(71)59-32-38-72-65(46-59)64-42-53(49-17-7-3-8-18-49)25-33-69(64)74(72)57-20-9-4-10-21-57/h2-12,15-18,20-25,27-33,35,37-47,63,68,71H,13-14,19,26,34,36H2,1H3
InChIKeyFEDDNEXNWOOYJC-UHFFFAOYSA-N
XLogP18.08
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.28
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole with MolForge

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Related Compounds

3-cyclohexa-1,5-dien-1-yl-9-(4-methylphenyl)-6-phenyl-1,9a-dihydrocarbazole
CID 144632066
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
CID 145110624
9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole
CID 142505029
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-(9-phenylcarbazol-3-yl)-9-[4-[6-(4-phenylphenyl)-2-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 176826323
7-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-9,9-dimethyl-2-phenyl-10-(4-pyridin-2-ylphenyl)-1,2-dihydroacridine
CID 145110372
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749
3-[(8aR)-9-phenyl-8,8a-dihydrocarbazol-3-yl]-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenyl-1,9a-dihydrocarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 163822230
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 89234982

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole (CID 146280210) is 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole is CC1C=C(c2ccc3c(c2)C2=CC(C4=CC5C6=C(CCC(c7ccccc7)=C6)N(c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)C5C=C4)=CCC2N3c2ccc(-c3ccccn3)cc2)CCC1.
What is the InChIKey of 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole?
The InChIKey is FEDDNEXNWOOYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N4/c1-47-14-13-19-51(40-47)54-27-35-67-61(43-54)62-44-55(28-36-68(62)75(67)58-30-23-50(24-31-58)66-22-11-12-39-73-66)56-29-37-71-63(45-56)60-41-52(48-15-5-2-6-16-48)26-34-70(60)76(71)59-32-38-72-65(46-59)64-42-53(49-17-7-3-8-18-49)25-33-69(64)74(72)57-20-9-4-10-21-57/h2-12,15-18,20-25,27-33,35,37-47,63,68,71H,13-14,19,26,34,36H2,1H3.
What are the key properties of 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole?
3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole has a molecular weight of 979.28 g/mol, XLogP of 18.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(3-methylcyclohexen-1-yl)-9-(4-pyridin-2-ylphenyl)-1,9a-dihydrocarbazol-3-yl]-3-phenyl-1,2,4b,8a-tetrahydrocarbazol-9-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 146280210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).