5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole

C56H45N3 — CID 146858209

IUPAC5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole
SMILESCCC1C=CC2=C(C1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc12)c1c(n3-c2ccc(-c3ccc(N4c5cccnc5C5C=CC=CC54)cc3)cc2)C=CCC1
InChIInChI=1S/C56H45N3/c1-2-37-23-32-44-47-35-48-45-18-9-11-20-51(45)59(54(48)36-50(47)56(49(44)34-37,40-14-5-3-6-15-40)41-16-7-4-8-17-41)43-30-26-39(27-31-43)38-24-28-42(29-25-38)58-52-21-12-10-19-46(52)55-53(58)22-13-33-57-55/h3-8,10-17,19-33,35-37,46,52H,2,9,18,34H2,1H3
InChIKeySKAGQWQNGPYLCN-UHFFFAOYSA-N
MW760.00 g/mol
LogP13.47
Rot. Bonds6

About 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole

5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole (PubChem CID 146858209) has the molecular formula C56H45N3 and a molecular weight of 760.00 g/mol. Its IUPAC name is 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole
PubChem CID146858209
Molecular FormulaC56H45N3
Molecular Weight760.00 g/mol
Exact Mass759.36
IUPAC Name5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole
SMILESCCC1C=CC2=C(C1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc12)c1c(n3-c2ccc(-c3ccc(N4c5cccnc5C5C=CC=CC54)cc3)cc2)C=CCC1
InChIInChI=1S/C56H45N3/c1-2-37-23-32-44-47-35-48-45-18-9-11-20-51(45)59(54(48)36-50(47)56(49(44)34-37,40-14-5-3-6-15-40)41-16-7-4-8-17-41)43-30-26-39(27-31-43)38-24-28-42(29-25-38)58-52-21-12-10-19-46(52)55-53(58)22-13-33-57-55/h3-8,10-17,19-33,35-37,46,52H,2,9,18,34H2,1H3
InChIKeySKAGQWQNGPYLCN-UHFFFAOYSA-N
XLogP13.47
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.00
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole with MolForge

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Related Compounds

9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
5-[4-(7,7-diphenyl-1,2-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
CID 134447533
5-(11,11-dimethylindolo[1,2-a]benzimidazol-8-yl)-7-phenyl-1,2,10,11-tetrahydroindolo[2,3-b]carbazole
CID 142607253
6-[9-(7-cyclohexa-2,4-dien-1-yl-9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-9-phenyl-3,4-dihydrocarbazole;ethane
CID 144579160
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
N-[4-[4-[8-methyl-7-(2-methylphenyl)-3,4-dihydrocarbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 123271476
3-(9-phenyl-5,6-dihydrocarbazol-3-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 146334259
10-[9-(9,9-dimethylfluoren-2-yl)-5,6-dihydrocarbazol-3-yl]-7-(4-phenylquinazolin-2-yl)-7a,11a-dihydrobenzo[c]carbazole
CID 66807364
N-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)phenyl]phenyl]-N-[4-[4-(4-methylphenyl)phenyl]phenyl]-4-phenylaniline
CID 167211102
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole
CID 144976551

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole (CID 146858209) is 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole is CCC1C=CC2=C(C1)C(c1ccccc1)(c1ccccc1)c1cc3c(cc12)c1c(n3-c2ccc(-c3ccc(N4c5cccnc5C5C=CC=CC54)cc3)cc2)C=CCC1.
What is the InChIKey of 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole?
The InChIKey is SKAGQWQNGPYLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N3/c1-2-37-23-32-44-47-35-48-45-18-9-11-20-51(45)59(54(48)36-50(47)56(49(44)34-37,40-14-5-3-6-15-40)41-16-7-4-8-17-41)43-30-26-39(27-31-43)38-24-28-42(29-25-38)58-52-21-12-10-19-46(52)55-53(58)22-13-33-57-55/h3-8,10-17,19-33,35-37,46,52H,2,9,18,34H2,1H3.
What are the key properties of 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole?
5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole has a molecular weight of 760.00 g/mol, XLogP of 13.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(5a,9a-dihydropyrido[3,2-b]indol-5-yl)phenyl]phenyl]-9-ethyl-7,7-diphenyl-1,2,8,9-tetrahydroindeno[2,1-b]carbazole is sourced from PubChem (CID 146858209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).