5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole

C43H29N3 — CID 139361885

IUPAC5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5ccccc45)cccc3cc21
InChIInChI=1S/C43H29N3/c1-43(2)36-19-8-5-15-29(36)34-25-33-28(23-37(34)43)14-11-18-31(33)41-32-17-6-9-20-38(32)44-42(45-41)46-39-21-10-7-16-30(39)35-22-26-12-3-4-13-27(26)24-40(35)46/h3-25H,1-2H3
InChIKeyZJVRLZOSVVXWKV-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.01
Rot. Bonds2

About 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole

5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 139361885) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID139361885
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5ccccc45)cccc3cc21
InChIInChI=1S/C43H29N3/c1-43(2)36-19-8-5-15-29(36)34-25-33-28(23-37(34)43)14-11-18-31(33)41-32-17-6-9-20-38(32)44-42(45-41)46-39-21-10-7-16-30(39)35-22-26-12-3-4-13-27(26)24-40(35)46/h3-25H,1-2H3
InChIKeyZJVRLZOSVVXWKV-UHFFFAOYSA-N
XLogP11.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
12-(9,9-dimethylfluoren-2-yl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-1-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-2-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 158538438
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139362284
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)quinazolin-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 130327429
12-(9,9-dimethylfluoren-2-yl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-naphthalen-2-yl-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12-phenanthren-9-yl-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 163837181
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
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
5-[4-(3,5-diphenylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433547
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806

Frequently Asked Questions

What is the IUPAC name of 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole (CID 139361885) is 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2cc3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5ccccc45)cccc3cc21.
What is the InChIKey of 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is ZJVRLZOSVVXWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-43(2)36-19-8-5-15-29(36)34-25-33-28(23-37(34)43)14-11-18-31(33)41-32-17-6-9-20-38(32)44-42(45-41)46-39-21-10-7-16-30(39)35-22-26-12-3-4-13-27(26)24-40(35)46/h3-25H,1-2H3.
What are the key properties of 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole?
5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 587.73 g/mol, XLogP of 11.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139361885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).