1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole

C55H42N4 — CID 71164644

IUPAC1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
SMILESC1=CCCC(N2C(c3cc(C4=C5C(CC=C4)c4ccccc4N5c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)=CC3C=CC=CC32)=C1
InChIInChI=1S/C55H42N4/c1-4-19-39(20-5-1)57-50-31-13-10-18-37(50)36-53(57)38-34-48(46-29-16-27-44-42-25-11-14-32-51(42)58(54(44)46)40-21-6-2-7-22-40)56-49(35-38)47-30-17-28-45-43-26-12-15-33-52(43)59(55(45)47)41-23-8-3-9-24-41/h1-4,6-19,21-27,29-37,45,50H,5,20,28H2
InChIKeyFWQWHNZJCNJKQZ-UHFFFAOYSA-N
MW758.97 g/mol
LogP13.45
Rot. Bonds6

About 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole

1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole (PubChem CID 71164644) has the molecular formula C55H42N4 and a molecular weight of 758.97 g/mol. Its IUPAC name is 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
PubChem CID71164644
Molecular FormulaC55H42N4
Molecular Weight758.97 g/mol
Exact Mass758.34
IUPAC Name1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
SMILESC1=CCCC(N2C(c3cc(C4=C5C(CC=C4)c4ccccc4N5c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)=CC3C=CC=CC32)=C1
InChIInChI=1S/C55H42N4/c1-4-19-39(20-5-1)57-50-31-13-10-18-37(50)36-53(57)38-34-48(46-29-16-27-44-42-25-11-14-32-51(42)58(54(44)46)40-21-6-2-7-22-40)56-49(35-38)47-30-17-28-45-43-26-12-15-33-52(43)59(55(45)47)41-23-8-3-9-24-41/h1-4,6-19,21-27,29-37,45,50H,5,20,28H2
InChIKeyFWQWHNZJCNJKQZ-UHFFFAOYSA-N
XLogP13.45
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole with MolForge

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Related Compounds

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
11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
CID 134390608
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269
4-carbazol-9-yl-9-(9-phenyl-4,4a-dihydrocarbazol-1-yl)carbazole
CID 170263351
1-[4-carbazol-9-yl-6-(9-phenylcarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole
CID 71127177
14-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)pyrimidin-4-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
CID 70808355
7-cyclohexa-1,3-dien-1-yl-10-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[c]carbazole
CID 139481313
12-phenyl-5-(4-phenylphenyl)-7,7a-dihydroindolo[3,2-c]carbazole
CID 134556780
5-cyclohexa-1,3-dien-1-yl-12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole
CID 130184261
5-[9-cyclohexa-1,3-dien-1-yl-5-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)carbazol-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 163544852
8-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)-1,7a,12a,12c-tetrahydro-[1]benzofuro[3,2-c]carbazole
CID 174370392
12-cyclohexa-1,3-dien-1-yl-5-[4-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 170206804

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole (CID 71164644) is 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole is C1=CCCC(N2C(c3cc(C4=C5C(CC=C4)c4ccccc4N5c4ccccc4)nc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c3)=CC3C=CC=CC32)=C1.
What is the InChIKey of 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
The InChIKey is FWQWHNZJCNJKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N4/c1-4-19-39(20-5-1)57-50-31-13-10-18-37(50)36-53(57)38-34-48(46-29-16-27-44-42-25-11-14-32-51(42)58(54(44)46)40-21-6-2-7-22-40)56-49(35-38)47-30-17-28-45-43-26-12-15-33-52(43)59(55(45)47)41-23-8-3-9-24-41/h1-4,6-19,21-27,29-37,45,50H,5,20,28H2.
What are the key properties of 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole?
1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole has a molecular weight of 758.97 g/mol, XLogP of 13.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclohexa-1,3-dien-1-yl-3a,7a-dihydroindol-2-yl)-6-(9-phenyl-4,4a-dihydrocarbazol-1-yl)-2-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 71164644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).