10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one

C50H36N2O — CID 142288765

IUPAC10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one
SMILESO=C1c2ccccc2C(c2ccccc2)(C2C=CC=CC2)c2cc(-n3c4c(c5c3ccc3c6ccccc6n(-c6ccccc6)c35)C=CCC4)ccc21
InChIInChI=1S/C50H36N2O/c53-49-39-23-10-13-25-42(39)50(33-16-4-1-5-17-33,34-18-6-2-7-19-34)43-32-36(28-29-40(43)49)51-45-27-15-12-24-41(45)47-46(51)31-30-38-37-22-11-14-26-44(37)52(48(38)47)35-20-8-3-9-21-35/h1-14,16-18,20-26,28-32,34H,15,19,27H2
InChIKeyYCHQRISSCFIAQJ-UHFFFAOYSA-N
MW680.85 g/mol
LogP11.70
Rot. Bonds4

About 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one

10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one (PubChem CID 142288765) has the molecular formula C50H36N2O and a molecular weight of 680.85 g/mol. Its IUPAC name is 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one.

Molecular Properties

Compound Name10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one
PubChem CID142288765
Molecular FormulaC50H36N2O
Molecular Weight680.85 g/mol
Exact Mass680.28
IUPAC Name10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one
SMILESO=C1c2ccccc2C(c2ccccc2)(C2C=CC=CC2)c2cc(-n3c4c(c5c3ccc3c6ccccc6n(-c6ccccc6)c35)C=CCC4)ccc21
InChIInChI=1S/C50H36N2O/c53-49-39-23-10-13-25-42(39)50(33-16-4-1-5-17-33,34-18-6-2-7-19-34)43-32-36(28-29-40(43)49)51-45-27-15-12-24-41(45)47-46(51)31-30-38-37-22-11-14-26-44(37)52(48(38)47)35-20-8-3-9-21-35/h1-14,16-18,20-26,28-32,34H,15,19,27H2
InChIKeyYCHQRISSCFIAQJ-UHFFFAOYSA-N
XLogP11.70
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.85
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170205976
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
21-cyclohexa-1,3-dien-1-yl-14-cyclohexa-2,4-dien-1-yl-14-phenyl-10-triphenylen-2-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 123247032
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 176965403
5-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazinan-2-yl)naphthalen-2-yl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 145085044
16-cyclohexa-2,4-dien-1-yl-2,16-dimethyl-2-phenyl-11-(3-phenylphenyl)-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5(10),6,13,18(26),22,27-nonaene
CID 145243573
4,15-diphenyl-4,15,24-triazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5(10),8,12,17(25),18,20,22,26-undecaen-24-amine
CID 163490862
10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one
CID 142288778
6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol
CID 144568695
2-[7-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazol-9-yl]phenanthren-4-yl]benzenethiol
CID 129054614
7-N'-cyclohexa-2,4-dien-1-yl-2-N',10-diphenyl-7-N'-(9-phenylcarbazol-3-yl)-2-N'-(9-phenyl-7,8-dihydrocarbazol-3-yl)spiro[3,4,4a,9a-tetrahydroacridine-9,9'-fluorene]-2',7'-diamine
CID 163561901

Frequently Asked Questions

What is the IUPAC name of 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one?
The IUPAC name of 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one (CID 142288765) is 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one.
What is the SMILES notation for 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one?
The canonical SMILES for 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one is O=C1c2ccccc2C(c2ccccc2)(C2C=CC=CC2)c2cc(-n3c4c(c5c3ccc3c6ccccc6n(-c6ccccc6)c35)C=CCC4)ccc21.
What is the InChIKey of 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one?
The InChIKey is YCHQRISSCFIAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2O/c53-49-39-23-10-13-25-42(39)50(33-16-4-1-5-17-33,34-18-6-2-7-19-34)43-32-36(28-29-40(43)49)51-45-27-15-12-24-41(45)47-46(51)31-30-38-37-22-11-14-26-44(37)52(48(38)47)35-20-8-3-9-21-35/h1-14,16-18,20-26,28-32,34H,15,19,27H2.
What are the key properties of 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one?
10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one has a molecular weight of 680.85 g/mol, XLogP of 11.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexa-2,4-dien-1-yl-10-phenyl-3-(12-phenyl-3,4-dihydroindolo[3,2-c]carbazol-5-yl)anthracen-9-one is sourced from PubChem (CID 142288765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).