5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole

C45H31N3 — CID 139361929

IUPAC5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4cc(-c5ccccc5)ccc34)cccc21
InChIInChI=1S/C45H31N3/c1-45(2)37-20-10-8-18-33(37)42-35(19-12-21-38(42)45)43-34-24-23-31(28-13-4-3-5-14-28)26-39(34)46-44(47-43)48-40-22-11-9-17-32(40)36-25-29-15-6-7-16-30(29)27-41(36)48/h3-27H,1-2H3
InChIKeyUWRDHYCFGIGXIH-UHFFFAOYSA-N
MW613.76 g/mol
LogP11.52
Rot. Bonds3

About 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole

5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole (PubChem CID 139361929) has the molecular formula C45H31N3 and a molecular weight of 613.76 g/mol. Its IUPAC name is 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
PubChem CID139361929
Molecular FormulaC45H31N3
Molecular Weight613.76 g/mol
Exact Mass613.25
IUPAC Name5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4cc(-c5ccccc5)ccc34)cccc21
InChIInChI=1S/C45H31N3/c1-45(2)37-20-10-8-18-33(37)42-35(19-12-21-38(42)45)43-34-24-23-31(28-13-4-3-5-14-28)26-39(34)46-44(47-43)48-40-22-11-9-17-32(40)36-25-29-15-6-7-16-30(29)27-41(36)48/h3-27H,1-2H3
InChIKeyUWRDHYCFGIGXIH-UHFFFAOYSA-N
XLogP11.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139362284
9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742594
5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole
CID 146540586
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
5-[3-(9,9-dimethylfluoren-4-yl)-6,7-diphenylquinoxalin-2-yl]benzo[b]carbazole
CID 139361909
5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361885
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568512
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
5-[4-(3,5-diphenylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433547
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole (CID 139361929) is 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2c(-c3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc4cc(-c5ccccc5)ccc34)cccc21.
What is the InChIKey of 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole?
The InChIKey is UWRDHYCFGIGXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3/c1-45(2)37-20-10-8-18-33(37)42-35(19-12-21-38(42)45)43-34-24-23-31(28-13-4-3-5-14-28)26-39(34)46-44(47-43)48-40-22-11-9-17-32(40)36-25-29-15-6-7-16-30(29)27-41(36)48/h3-27H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole?
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole has a molecular weight of 613.76 g/mol, XLogP of 11.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139361929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).