9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole

C106H86N6 — CID 138613957

IUPAC9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole
SMILESC1=CCC(C2C=CC=C(N3c4cc(-c5ccc6c(c5)c5ccccc5n6C5=NC(c6ccccc6)CC(c6ccccc6)=C5)ccc4C4C=CC=CC43)C2)C(c2cccc(C3C=C(n4c5ccccc5c5cc(C6C=Cc7c8c(n(C9=CC=C(c%10ccccc%10)CC9)c7C6)CCC=C8)ccc54)CC(c4ccccc4)N3)c2)=C1
InChIInChI=1S/C106H86N6/c1-5-25-69(26-6-1)71-47-53-82(54-48-71)109-98-43-19-15-39-87(98)91-55-49-76(64-104(91)109)74-51-57-102-93(61-74)89-41-17-21-45-100(89)111(102)84-67-96(73-31-11-4-12-32-73)107-97(68-84)80-35-23-33-78(59-80)85-37-13-14-38-86(85)79-34-24-36-83(60-79)110-99-44-20-16-40-88(99)92-56-50-77(65-105(92)110)75-52-58-103-94(62-75)90-42-18-22-46-101(90)112(103)106-66-81(70-27-7-2-8-28-70)63-95(108-106)72-29-9-3-10-30-72/h1-18,20-37,39-42,44-47,49-53,55-59,61-62,65-66,68,76,79,86,88,95-97,99,107H,19,38,43,48,54,60,63-64,67H2
InChIKeyBWEOCTTUJLMEGW-UHFFFAOYSA-N
MW1443.90 g/mol
LogP25.71
Rot. Bonds12

About 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole

9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole (PubChem CID 138613957) has the molecular formula C106H86N6 and a molecular weight of 1443.90 g/mol. Its IUPAC name is 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole
PubChem CID138613957
Molecular FormulaC106H86N6
Molecular Weight1443.90 g/mol
Exact Mass1442.69
IUPAC Name9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole
SMILESC1=CCC(C2C=CC=C(N3c4cc(-c5ccc6c(c5)c5ccccc5n6C5=NC(c6ccccc6)CC(c6ccccc6)=C5)ccc4C4C=CC=CC43)C2)C(c2cccc(C3C=C(n4c5ccccc5c5cc(C6C=Cc7c8c(n(C9=CC=C(c%10ccccc%10)CC9)c7C6)CCC=C8)ccc54)CC(c4ccccc4)N3)c2)=C1
InChIInChI=1S/C106H86N6/c1-5-25-69(26-6-1)71-47-53-82(54-48-71)109-98-43-19-15-39-87(98)91-55-49-76(64-104(91)109)74-51-57-102-93(61-74)89-41-17-21-45-100(89)111(102)84-67-96(73-31-11-4-12-32-73)107-97(68-84)80-35-23-33-78(59-80)85-37-13-14-38-86(85)79-34-24-36-83(60-79)110-99-44-20-16-40-88(99)92-56-50-77(65-105(92)110)75-52-58-103-94(62-75)90-42-18-22-46-101(90)112(103)106-66-81(70-27-7-2-8-28-70)63-95(108-106)72-29-9-3-10-30-72/h1-18,20-37,39-42,44-47,49-53,55-59,61-62,65-66,68,76,79,86,88,95-97,99,107H,19,38,43,48,54,60,63-64,67H2
InChIKeyBWEOCTTUJLMEGW-UHFFFAOYSA-N
XLogP25.71
TPSA42.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001443.90
LogP ≤ 525.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole with MolForge

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Related Compounds

9-(4a,11b-dihydrobenzo[b]carbazol-5-yl)-5-[3-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
CID 139569825
3-[4-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-2,3-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 144573357
9-cyclohexa-1,3-dien-1-yl-3-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)cyclohexen-1-yl]carbazole
CID 138625874
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
3-[9-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-7,8-dihydrocarbazol-3-yl]-9-(9,9-dimethyl-4a,9a-dihydrofluoren-1-yl)-2,3-dihydrocarbazole
CID 169037156
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
1-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-[3,5-di(carbazol-9-yl)phenyl]benzimidazol-2-one
CID 89129785
14-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)-6-phenyl-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
CID 70808922
3-[9-(3-cyclohexa-2,4-dien-1-yl-5-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-(3,5-dimethylphenyl)carbazole
CID 163763884
9-cyclohexa-1,3-dien-1-yl-3-(7,9-diphenyl-1,2,4a,9a-tetrahydrocarbazol-3-yl)-1,2-dihydrocarbazole
CID 146564066
5-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-yl)naphthalen-2-yl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 145085044
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

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole?
The IUPAC name of 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole (CID 138613957) is 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole.
What is the SMILES notation for 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole?
The canonical SMILES for 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole is C1=CCC(C2C=CC=C(N3c4cc(-c5ccc6c(c5)c5ccccc5n6C5=NC(c6ccccc6)CC(c6ccccc6)=C5)ccc4C4C=CC=CC43)C2)C(c2cccc(C3C=C(n4c5ccccc5c5cc(C6C=Cc7c8c(n(C9=CC=C(c%10ccccc%10)CC9)c7C6)CCC=C8)ccc54)CC(c4ccccc4)N3)c2)=C1.
What is the InChIKey of 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole?
The InChIKey is BWEOCTTUJLMEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H86N6/c1-5-25-69(26-6-1)71-47-53-82(54-48-71)109-98-43-19-15-39-87(98)91-55-49-76(64-104(91)109)74-51-57-102-93(61-74)89-41-17-21-45-100(89)111(102)84-67-96(73-31-11-4-12-32-73)107-97(68-84)80-35-23-33-78(59-80)85-37-13-14-38-86(85)79-34-24-36-83(60-79)110-99-44-20-16-40-88(99)92-56-50-77(65-105(92)110)75-52-58-103-94(62-75)90-42-18-22-46-101(90)112(103)106-66-81(70-27-7-2-8-28-70)63-95(108-106)72-29-9-3-10-30-72/h1-18,20-37,39-42,44-47,49-53,55-59,61-62,65-66,68,76,79,86,88,95-97,99,107H,19,38,43,48,54,60,63-64,67H2.
What are the key properties of 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole?
9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole has a molecular weight of 1443.90 g/mol, XLogP of 25.71, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole is sourced from PubChem (CID 138613957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).