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

C59H41N3 — CID 142568512

IUPAC1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc6c7ccccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cccc21
InChIInChI=1S/C59H41N3/c1-59(2)51-30-12-9-27-47(51)55-45(29-17-31-52(55)59)42-24-15-22-40(34-42)41-23-16-25-43(35-41)49-36-44(38-18-5-3-6-19-38)37-50-46-26-11-14-33-54(46)62(57(49)50)58-60-53-32-13-10-28-48(53)56(61-58)39-20-7-4-8-21-39/h3-37H,1-2H3
InChIKeyRYPPYDSEEFDHHG-UHFFFAOYSA-N
MW792.00 g/mol
LogP15.37
Rot. Bonds6

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

1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 142568512) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID142568512
Molecular FormulaC59H41N3
Molecular Weight792.00 g/mol
Exact Mass791.33
IUPAC Name1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc6c7ccccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cccc21
InChIInChI=1S/C59H41N3/c1-59(2)51-30-12-9-27-47(51)55-45(29-17-31-52(55)59)42-24-15-22-40(34-42)41-23-16-25-43(35-41)49-36-44(38-18-5-3-6-19-38)37-50-46-26-11-14-33-54(46)62(57(49)50)58-60-53-32-13-10-28-48(53)56(61-58)39-20-7-4-8-21-39/h3-37H,1-2H3
InChIKeyRYPPYDSEEFDHHG-UHFFFAOYSA-N
XLogP15.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.00
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
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-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
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
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
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
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
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
10,10-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[1,2-b]indole
CID 129194138
1-(3-dibenzofuran-3-ylphenyl)-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142569509

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (CID 142568512) is 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is CC1(C)c2ccccc2-c2c(-c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc6c7ccccc7n(-c7nc(-c8ccccc8)c8ccccc8n7)c56)c4)c3)cccc21.
What is the InChIKey of 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is RYPPYDSEEFDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-59(2)51-30-12-9-27-47(51)55-45(29-17-31-52(55)59)42-24-15-22-40(34-42)41-23-16-25-43(35-41)49-36-44(38-18-5-3-6-19-38)37-50-46-26-11-14-33-54(46)62(57(49)50)58-60-53-32-13-10-28-48(53)56(61-58)39-20-7-4-8-21-39/h3-37H,1-2H3.
What are the key properties of 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 792.00 g/mol, XLogP of 15.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-3-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 142568512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).