9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole

C37H30N2 — CID 89302416

IUPAC9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(-c2ccc(-n3c4c(c5ccccc53)CCC=C4)cc2)cc1
InChIInChI=1S/C37H30N2/c1-3-11-30-31-12-5-8-15-35(31)38(34(30)4-2)28-22-18-26(19-23-28)27-20-24-29(25-21-27)39-36-16-9-6-13-32(36)33-14-7-10-17-37(33)39/h3-6,8-13,15-25H,2,7,14H2,1H3/b11-3-
InChIKeyMMGHEYHTBOEFBF-JYOAFUTRSA-N
MW502.66 g/mol
LogP9.88
Rot. Bonds5

About 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole

9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole (PubChem CID 89302416) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
PubChem CID89302416
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Name9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
SMILESC=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(-c2ccc(-n3c4c(c5ccccc53)CCC=C4)cc2)cc1
InChIInChI=1S/C37H30N2/c1-3-11-30-31-12-5-8-15-35(31)38(34(30)4-2)28-22-18-26(19-23-28)27-20-24-29(25-21-27)39-36-16-9-6-13-32(36)33-14-7-10-17-37(33)39/h3-6,8-13,15-25H,2,7,14H2,1H3/b11-3-
InChIKeyMMGHEYHTBOEFBF-JYOAFUTRSA-N
XLogP9.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
ethane;2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]indole
CID 176690298
[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]boronic acid
CID 167453480
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
3-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]benzonitrile
CID 144604962
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[3-(4-carbazol-9-ylphenyl)-5-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]phenyl]carbazole
CID 174303299
9-[3-[3-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]carbazole
CID 89315996
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole (CID 89302416) is 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole is C=Cc1c(/C=C\C)c2ccccc2n1-c1ccc(-c2ccc(-n3c4c(c5ccccc53)CCC=C4)cc2)cc1.
What is the InChIKey of 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole?
The InChIKey is MMGHEYHTBOEFBF-JYOAFUTRSA-N. The full InChI is InChI=1S/C37H30N2/c1-3-11-30-31-12-5-8-15-35(31)38(34(30)4-2)28-22-18-26(19-23-28)27-20-24-29(25-21-27)39-36-16-9-6-13-32(36)33-14-7-10-17-37(33)39/h3-6,8-13,15-25H,2,7,14H2,1H3/b11-3-.
What are the key properties of 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole?
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole has a molecular weight of 502.66 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole is sourced from PubChem (CID 89302416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).