2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole

C43H27N3 — CID 131979695

IUPAC2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole
SMILESc1ccc2c(c1)Cc1ccc(-c3ccc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ncc5ccccc5n4)cc3)cc1-2
InChIInChI=1S/C43H27N3/c1-3-9-35-32(7-1)23-33-20-19-30(24-37(33)35)27-13-15-28(16-14-27)31-18-17-29-21-22-41-42(38(29)25-31)36-10-4-6-12-40(36)46(41)43-44-26-34-8-2-5-11-39(34)45-43/h1-22,24-26H,23H2
InChIKeyCSSCLFLHSLGNOZ-UHFFFAOYSA-N
MW585.71 g/mol
LogP10.79
Rot. Bonds3

About 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole

2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole (PubChem CID 131979695) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole
PubChem CID131979695
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole
SMILESc1ccc2c(c1)Cc1ccc(-c3ccc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ncc5ccccc5n4)cc3)cc1-2
InChIInChI=1S/C43H27N3/c1-3-9-35-32(7-1)23-33-20-19-30(24-37(33)35)27-13-15-28(16-14-27)31-18-17-29-21-22-41-42(38(29)25-31)36-10-4-6-12-40(36)46(41)43-44-26-34-8-2-5-11-39(34)45-43/h1-22,24-26H,23H2
InChIKeyCSSCLFLHSLGNOZ-UHFFFAOYSA-N
XLogP10.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979722
3-(4-dibenzothiophen-2-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979732
3-(4-dibenzothiophen-4-ylphenyl)-7-quinazolin-2-ylbenzo[c]carbazole
CID 131979734
17,17-dimethyl-9-quinazolin-2-yl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464270
2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
CID 158215535
2-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-carbazol-9-yl-7-quinazolin-2-ylbenzo[c]carbazole;7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 158731806
3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole
CID 159101464
9-quinazolin-2-yl-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259833
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
9-(9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475206
9-phenyl-23-quinazolin-2-yl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122465142

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole?
The IUPAC name of 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole (CID 131979695) is 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole.
What is the SMILES notation for 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole?
The canonical SMILES for 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole is c1ccc2c(c1)Cc1ccc(-c3ccc(-c4ccc5ccc6c(c5c4)c4ccccc4n6-c4ncc5ccccc5n4)cc3)cc1-2.
What is the InChIKey of 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole?
The InChIKey is CSSCLFLHSLGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-3-9-35-32(7-1)23-33-20-19-30(24-37(33)35)27-13-15-28(16-14-27)31-18-17-29-21-22-41-42(38(29)25-31)36-10-4-6-12-40(36)46(41)43-44-26-34-8-2-5-11-39(34)45-43/h1-22,24-26H,23H2.
What are the key properties of 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole?
2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole has a molecular weight of 585.71 g/mol, XLogP of 10.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-3-yl)phenyl]-7-quinazolin-2-ylbenzo[c]carbazole is sourced from PubChem (CID 131979695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).