8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one

C34H23NO2 — CID 125495771

IUPAC8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c(=O)oc4ccccc45)c3cc21
InChIInChI=1S/C34H23NO2/c1-34(2)28-12-6-3-9-22(28)25-18-26-23-10-4-7-13-30(23)35(31(26)19-29(25)34)20-15-16-21-24-11-5-8-14-32(24)37-33(36)27(21)17-20/h3-19H,1-2H3
InChIKeyVZDDBMPHXVJEFC-UHFFFAOYSA-N
MW477.56 g/mol
LogP8.35
Rot. Bonds1

About 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one

8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one (PubChem CID 125495771) has the molecular formula C34H23NO2 and a molecular weight of 477.56 g/mol. Its IUPAC name is 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
PubChem CID125495771
Molecular FormulaC34H23NO2
Molecular Weight477.56 g/mol
Exact Mass477.17
IUPAC Name8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c(=O)oc4ccccc45)c3cc21
InChIInChI=1S/C34H23NO2/c1-34(2)28-12-6-3-9-22(28)25-18-26-23-10-4-7-13-30(23)35(31(26)19-29(25)34)20-15-16-21-24-11-5-8-14-32(24)37-33(36)27(21)17-20/h3-19H,1-2H3
InChIKeyVZDDBMPHXVJEFC-UHFFFAOYSA-N
XLogP8.35
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
3-dibenzofuran-1-yl-8-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)benzo[c]chromen-6-one
CID 121242499
8-[bis(9,9-dimethylfluoren-2-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]benzo[c]chromen-6-one;3-[(9,9-dimethylfluoren-2-yl)-(9,9-dimethylfluoren-3-yl)amino]-8-(3-phenylcarbazol-9-yl)benzo[c]chromen-6-one
CID 161016683
CID 134551686
CID 134551686
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087

Frequently Asked Questions

What is the IUPAC name of 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one?
The IUPAC name of 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one (CID 125495771) is 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one.
What is the SMILES notation for 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one?
The canonical SMILES for 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)c(=O)oc4ccccc45)c3cc21.
What is the InChIKey of 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one?
The InChIKey is VZDDBMPHXVJEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23NO2/c1-34(2)28-12-6-3-9-22(28)25-18-26-23-10-4-7-13-30(23)35(31(26)19-29(25)34)20-15-16-21-24-11-5-8-14-32(24)37-33(36)27(21)17-20/h3-19H,1-2H3.
What are the key properties of 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one?
8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one has a molecular weight of 477.56 g/mol, XLogP of 8.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one is sourced from PubChem (CID 125495771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).