8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one

C37H22N2O2 — CID 121242427

IUPAC8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc12
InChIInChI=1S/C37H22N2O2/c40-37-31-22-24(18-19-25(31)28-14-6-9-17-34(28)41-37)39-33-16-8-5-13-27(33)30-21-20-29-26-12-4-7-15-32(26)38(35(29)36(30)39)23-10-2-1-3-11-23/h1-22H
InChIKeyHENLOFNGWUUVLT-UHFFFAOYSA-N
MW526.60 g/mol
LogP9.14
Rot. Bonds2

About 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one

8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one (PubChem CID 121242427) has the molecular formula C37H22N2O2 and a molecular weight of 526.60 g/mol. Its IUPAC name is 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one
PubChem CID121242427
Molecular FormulaC37H22N2O2
Molecular Weight526.60 g/mol
Exact Mass526.17
IUPAC Name8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc12
InChIInChI=1S/C37H22N2O2/c40-37-31-22-24(18-19-25(31)28-14-6-9-17-34(28)41-37)39-33-16-8-5-13-27(33)30-21-20-29-26-12-4-7-15-32(26)38(35(29)36(30)39)23-10-2-1-3-11-23/h1-22H
InChIKeyHENLOFNGWUUVLT-UHFFFAOYSA-N
XLogP9.14
TPSA40.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-dibenzofuran-3-yl-15-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16,18,20,23-undecaene
CID 122465434
8-(4-carbazol-9-ylphenyl)benzo[c]chromen-6-one;8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]benzo[c]chromen-6-one
CID 158033258
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
3-phenyl-6-(9-phenylcarbazol-2-yl)-15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaen-14-one
CID 118248423
3-(3-phenylphenyl)-15-oxa-3-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaen-14-one
CID 118248424
8-dibenzofuran-2-yl-3-(9-phenylcarbazol-2-yl)benzo[c]chromen-6-one
CID 121242474
11-phenylisochromeno[3,4-a]carbazol-13-one
CID 118248339
12-dibenzofuran-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 139497007
12-dibenzofuran-3-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-2-yl-11-phenylindolo[2,3-a]carbazole;12-dibenzothiophen-3-yl-11-phenylindolo[2,3-a]carbazole
CID 158708574
9-dibenzofuran-2-yl-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369923
12,18-di(dibenzofuran-2-yl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121286461
4-dibenzofuran-2-yl-1,4-diazaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-2(14),3(11),5,7,9,12,15,17,19,21,23,25,27-tridecaene
CID 118330989

Frequently Asked Questions

What is the IUPAC name of 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one?
The IUPAC name of 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one (CID 121242427) is 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one.
What is the SMILES notation for 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one?
The canonical SMILES for 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one is O=c1oc2ccccc2c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc12.
What is the InChIKey of 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one?
The InChIKey is HENLOFNGWUUVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O2/c40-37-31-22-24(18-19-25(31)28-14-6-9-17-34(28)41-37)39-33-16-8-5-13-27(33)30-21-20-29-26-12-4-7-15-32(26)38(35(29)36(30)39)23-10-2-1-3-11-23/h1-22H.
What are the key properties of 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one?
8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one has a molecular weight of 526.60 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(11-phenylindolo[2,3-a]carbazol-12-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 121242427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).