1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole

C53H37N3 — CID 148655486

IUPAC1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)cccc21
InChIInChI=1S/C53H37N3/c1-53(2)45-27-11-9-22-42(45)49-39(24-15-28-46(49)53)37-20-13-21-38(32-37)40-25-14-26-41-44-33-36(34-16-5-3-6-17-34)30-31-48(44)56(51(40)41)52-54-47-29-12-10-23-43(47)50(55-52)35-18-7-4-8-19-35/h3-33H,1-2H3
InChIKeyNMTCEFCXPHWGRX-UHFFFAOYSA-N
MW715.90 g/mol
LogP13.70
Rot. Bonds5

About 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole

1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 148655486) has the molecular formula C53H37N3 and a molecular weight of 715.90 g/mol. Its IUPAC name is 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID148655486
Molecular FormulaC53H37N3
Molecular Weight715.90 g/mol
Exact Mass715.30
IUPAC Name1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)cccc21
InChIInChI=1S/C53H37N3/c1-53(2)45-27-11-9-22-42(45)49-39(24-15-28-46(49)53)37-20-13-21-38(32-37)40-25-14-26-41-44-33-36(34-16-5-3-6-17-34)30-31-48(44)56(51(40)41)52-54-47-29-12-10-23-43(47)50(55-52)35-18-7-4-8-19-35/h3-33H,1-2H3
InChIKeyNMTCEFCXPHWGRX-UHFFFAOYSA-N
XLogP13.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568512
7,7-dimethyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 165042893
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
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
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
CID 145327894
6-phenyl-9-(4-phenylquinazolin-2-yl)-1-[3-[3-(1,9,9-trimethyl-1,2-dihydrofluoren-4-yl)phenyl]phenyl]carbazole
CID 142569205
19-(9,9-dimethylfluoren-4-yl)-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142571088
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122464922
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
19-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142568396

Frequently Asked Questions

What is the IUPAC name of 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (CID 148655486) is 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc5c6cc(-c7ccccc7)ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)cccc21.
What is the InChIKey of 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is NMTCEFCXPHWGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N3/c1-53(2)45-27-11-9-22-42(45)49-39(24-15-28-46(49)53)37-20-13-21-38(32-37)40-25-14-26-41-44-33-36(34-16-5-3-6-17-34)30-31-48(44)56(51(40)41)52-54-47-29-12-10-23-43(47)50(55-52)35-18-7-4-8-19-35/h3-33H,1-2H3.
What are the key properties of 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 715.90 g/mol, XLogP of 13.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 148655486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).