9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole

C44H42N2 — CID 143388730

IUPAC9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole
SMILESC=Cc1c(CCC)c2c(n1-c1ccc(-c3ccc(Cc4ccc(-n5c6c(c7c5C=CCC7)CCC=C6)cc4)cc3)cc1)C=CCC2
InChIInChI=1S/C44H42N2/c1-3-11-37-38-12-5-8-15-42(38)45(41(37)4-2)36-28-24-34(25-29-36)33-22-18-31(19-23-33)30-32-20-26-35(27-21-32)46-43-16-9-6-13-39(43)40-14-7-10-17-44(40)46/h4,8-10,15-29H,2-3,5-7,11-14,30H2,1H3
InChIKeyFTDZYKWQSYWAOQ-UHFFFAOYSA-N
MW598.83 g/mol
LogP11.00
Rot. Bonds8

About 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole

9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole (PubChem CID 143388730) has the molecular formula C44H42N2 and a molecular weight of 598.83 g/mol. Its IUPAC name is 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole
PubChem CID143388730
Molecular FormulaC44H42N2
Molecular Weight598.83 g/mol
Exact Mass598.33
IUPAC Name9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole
SMILESC=Cc1c(CCC)c2c(n1-c1ccc(-c3ccc(Cc4ccc(-n5c6c(c7c5C=CCC7)CCC=C6)cc4)cc3)cc1)C=CCC2
InChIInChI=1S/C44H42N2/c1-3-11-37-38-12-5-8-15-42(38)45(41(37)4-2)36-28-24-34(25-29-36)33-22-18-31(19-23-33)30-32-20-26-35(27-21-32)46-43-16-9-6-13-39(43)40-14-7-10-17-44(40)46/h4,8-10,15-29H,2-3,5-7,11-14,30H2,1H3
InChIKeyFTDZYKWQSYWAOQ-UHFFFAOYSA-N
XLogP11.00
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine
CID 143543625
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole
CID 167566058
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
N-[2-[(2-methylphenyl)methylsulfanyl]-6-[4-[2-[(Z)-prop-1-enyl]-3-propyl-4,5-dihydroindol-1-yl]phenyl]-3-[4-[2-[(Z)-prop-1-enyl]-3-propyl-4,5,6,7-tetrahydroindol-1-yl]phenyl]phenyl]methanimine;1,2-xylene
CID 144624083
5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806
2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole
CID 155420229
9-[4-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]phenyl]-3,4,5,6-tetrahydrocarbazole
CID 174246903
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
9-ethyl-3,6-bis(9-ethylcarbazol-3-yl)carbazole;3-(9-ethylcarbazol-3-yl)-9-[4-[4-[3-(9-ethyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157190296
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
1-[4-[4-[[4-[4-[3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrol-1-yl]cyclohexa-1,5-dien-1-yl]phenyl]methyl]phenyl]phenyl]-3,4-diethyl-2,5-bis[(Z)-prop-1-enyl]pyrrole
CID 143423752

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole?
The IUPAC name of 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole (CID 143388730) is 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole.
What is the SMILES notation for 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole?
The canonical SMILES for 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole is C=Cc1c(CCC)c2c(n1-c1ccc(-c3ccc(Cc4ccc(-n5c6c(c7c5C=CCC7)CCC=C6)cc4)cc3)cc1)C=CCC2.
What is the InChIKey of 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole?
The InChIKey is FTDZYKWQSYWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2/c1-3-11-37-38-12-5-8-15-42(38)45(41(37)4-2)36-28-24-34(25-29-36)33-22-18-31(19-23-33)30-32-20-26-35(27-21-32)46-43-16-9-6-13-39(43)40-14-7-10-17-44(40)46/h4,8-10,15-29H,2-3,5-7,11-14,30H2,1H3.
What are the key properties of 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole?
9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole has a molecular weight of 598.83 g/mol, XLogP of 11.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole is sourced from PubChem (CID 143388730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).