12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole

C37H28N2 — CID 139539060

IUPAC12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESCC1C=CC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)c32)=CC1
InChIInChI=1S/C37H28N2/c1-25-18-20-28(21-19-25)39-33-16-7-5-14-30(33)31-22-23-35-36(37(31)39)32-15-6-8-17-34(32)38(35)29-13-9-12-27(24-29)26-10-3-2-4-11-26/h2-18,20-25H,19H2,1H3
InChIKeyGHLRWMSXXCCHOZ-UHFFFAOYSA-N
MW500.65 g/mol
LogP10.00
Rot. Bonds3

About 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole

12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 139539060) has the molecular formula C37H28N2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID139539060
Molecular FormulaC37H28N2
Molecular Weight500.65 g/mol
Exact Mass500.23
IUPAC Name12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESCC1C=CC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)c32)=CC1
InChIInChI=1S/C37H28N2/c1-25-18-20-28(21-19-25)39-33-16-7-5-14-30(33)31-22-23-35-36(37(31)39)32-15-6-8-17-34(32)38(35)29-13-9-12-27(24-29)26-10-3-2-4-11-26/h2-18,20-25H,19H2,1H3
InChIKeyGHLRWMSXXCCHOZ-UHFFFAOYSA-N
XLogP10.00
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
2-[9-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 144884764
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268286

Frequently Asked Questions

What is the IUPAC name of 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 139539060) is 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole is CC1C=CC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccccc5)c4)c32)=CC1.
What is the InChIKey of 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is GHLRWMSXXCCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2/c1-25-18-20-28(21-19-25)39-33-16-7-5-14-30(33)31-22-23-35-36(37(31)39)32-15-6-8-17-34(32)38(35)29-13-9-12-27(24-29)26-10-3-2-4-11-26/h2-18,20-25H,19H2,1H3.
What are the key properties of 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole?
12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 500.65 g/mol, XLogP of 10.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-methylcyclohexa-1,5-dien-1-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 139539060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).