5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole

C45H30N2O — CID 90057439

IUPAC5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C45H30N2O/c1-45(2)36-17-9-6-14-29(36)33-25-35-34-24-28(20-22-39(34)46(41(35)26-37(33)45)27-12-4-3-5-13-27)47-38-18-10-7-16-32(38)43-40(47)23-21-31-30-15-8-11-19-42(30)48-44(31)43/h3-26H,1-2H3
InChIKeyZBJRVPKPPFOWAL-UHFFFAOYSA-N
MW614.75 g/mol
LogP12.09
Rot. Bonds2

About 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole

5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 90057439) has the molecular formula C45H30N2O and a molecular weight of 614.75 g/mol. Its IUPAC name is 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
PubChem CID90057439
Molecular FormulaC45H30N2O
Molecular Weight614.75 g/mol
Exact Mass614.24
IUPAC Name5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C45H30N2O/c1-45(2)36-17-9-6-14-29(36)33-25-35-34-24-28(20-22-39(34)46(41(35)26-37(33)45)27-12-4-3-5-13-27)47-38-18-10-7-16-32(38)43-40(47)23-21-31-30-15-8-11-19-42(30)48-44(31)43/h3-26H,1-2H3
InChIKeyZBJRVPKPPFOWAL-UHFFFAOYSA-N
XLogP12.09
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118545892
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 90057414
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
5-(9,9-dimethylfluoren-2-yl)-9-phenyl-[1]benzofuro[3,2-c]carbazole
CID 129290125
5-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90225202
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
CID 90050684
7,7-dimethyl-5-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazole
CID 89472164
8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
CID 125495771

Frequently Asked Questions

What is the IUPAC name of 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole (CID 90057439) is 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-n5c6ccccc6c6c7oc8ccccc8c7ccc65)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is ZBJRVPKPPFOWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O/c1-45(2)36-17-9-6-14-29(36)33-25-35-34-24-28(20-22-39(34)46(41(35)26-37(33)45)27-12-4-3-5-13-27)47-38-18-10-7-16-32(38)43-40(47)23-21-31-30-15-8-11-19-42(30)48-44(31)43/h3-26H,1-2H3.
What are the key properties of 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole?
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 614.75 g/mol, XLogP of 12.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 90057439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).