9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine

C40H26N4O — CID 130327429

IUPAC9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5cccc6oc7cccnc7c56)c5ccccc5n4)c3cc21
InChIInChI=1S/C40H26N4O/c1-40(2)29-15-6-3-11-23(29)27-21-28-24-12-5-8-17-32(24)44(33(28)22-30(27)40)39-42-31-16-7-4-13-25(31)37(43-39)26-14-9-18-34-36(26)38-35(45-34)19-10-20-41-38/h3-22H,1-2H3
InChIKeyYTTVGPKPFRBCPN-UHFFFAOYSA-N
MW578.68 g/mol
LogP9.99
Rot. Bonds2

About 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine

9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 130327429) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID130327429
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC Name9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5cccc6oc7cccnc7c56)c5ccccc5n4)c3cc21
InChIInChI=1S/C40H26N4O/c1-40(2)29-15-6-3-11-23(29)27-21-28-24-12-5-8-17-32(24)44(33(28)22-30(27)40)39-42-31-16-7-4-13-25(31)37(43-39)26-14-9-18-34-36(26)38-35(45-34)19-10-20-41-38/h3-22H,1-2H3
InChIKeyYTTVGPKPFRBCPN-UHFFFAOYSA-N
XLogP9.99
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361885
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 130333882
7,7-dimethyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole;7,7-dimethyl-5-phenyl-2-[8-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]indeno[2,1-b]carbazole;2-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 158685021
15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297667
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[3,2-b]quinoline
CID 138661690
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3-benzoxazole
CID 118502310
11-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-oxa-10,12-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 134602168
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 166914017
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343

Frequently Asked Questions

What is the IUPAC name of 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine (CID 130327429) is 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5cccc6oc7cccnc7c56)c5ccccc5n4)c3cc21.
What is the InChIKey of 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is YTTVGPKPFRBCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c1-40(2)29-15-6-3-11-23(29)27-21-28-24-12-5-8-17-32(24)44(33(28)22-30(27)40)39-42-31-16-7-4-13-25(31)37(43-39)26-14-9-18-34-36(26)38-35(45-34)19-10-20-41-38/h3-22H,1-2H3.
What are the key properties of 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine?
9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 578.68 g/mol, XLogP of 9.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 130327429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).