ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole

C65H52N4 — CID 144930900

IUPACethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole
SMILESCC.CC1=CC=CCC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)=C1.Cc1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C32H24N2.C31H22N2.C2H6/c1-22-11-5-6-14-24(21-22)34-28-17-9-7-15-25(28)26-19-20-30-31(32(26)34)27-16-8-10-18-29(27)33(30)23-12-3-2-4-13-23;1-21-10-9-13-23(20-21)32-28-17-8-6-15-26(28)30-29(32)19-18-25-24-14-5-7-16-27(24)33(31(25)30)22-11-3-2-4-12-22;1-2/h2-13,15-21H,14H2,1H3;2-20H,1H3;1-2H3
InChIKeyKJOFTQCYQKOQRB-UHFFFAOYSA-N
MW889.16 g/mol
LogP17.85
Rot. Bonds4

About ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole

ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole (PubChem CID 144930900) has the molecular formula C65H52N4 and a molecular weight of 889.16 g/mol. Its IUPAC name is ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Nameethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole
PubChem CID144930900
Molecular FormulaC65H52N4
Molecular Weight889.16 g/mol
Exact Mass888.42
IUPAC Nameethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole
SMILESCC.CC1=CC=CCC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)=C1.Cc1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C32H24N2.C31H22N2.C2H6/c1-22-11-5-6-14-24(21-22)34-28-17-9-7-15-25(28)26-19-20-30-31(32(26)34)27-16-8-10-18-29(27)33(30)23-12-3-2-4-13-23;1-21-10-9-13-23(20-21)32-28-17-8-6-15-26(28)30-29(32)19-18-25-24-14-5-7-16-27(24)33(31(25)30)22-11-3-2-4-12-22;1-2/h2-13,15-21H,14H2,1H3;2-20H,1H3;1-2H3
InChIKeyKJOFTQCYQKOQRB-UHFFFAOYSA-N
XLogP17.85
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.16
LogP ≤ 517.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-(3-methylphenyl)-12-[3-[2-methyl-4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]indolo[3,2-c]carbazole
CID 167193900
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole
CID 165016795
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
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
ethane;9-(3-methylphenyl)carbazole
CID 143904684
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

Frequently Asked Questions

What is the IUPAC name of ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole (CID 144930900) is ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole is CC.CC1=CC=CCC(n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)=C1.Cc1cccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole?
The InChIKey is KJOFTQCYQKOQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2.C31H22N2.C2H6/c1-22-11-5-6-14-24(21-22)34-28-17-9-7-15-25(28)26-19-20-30-31(32(26)34)27-16-8-10-18-29(27)33(30)23-12-3-2-4-13-23;1-21-10-9-13-23(20-21)32-28-17-8-6-15-26(28)30-29(32)19-18-25-24-14-5-7-16-27(24)33(31(25)30)22-11-3-2-4-12-22;1-2/h2-13,15-21H,14H2,1H3;2-20H,1H3;1-2H3.
What are the key properties of ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole?
ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole has a molecular weight of 889.16 g/mol, XLogP of 17.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;12-(3-methylcyclohepta-1,3,5-trien-1-yl)-5-phenylindolo[3,2-c]carbazole;5-(3-methylphenyl)-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 144930900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).