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

C47H33N3 — CID 129312343

IUPAC2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c5c4)cc3)cc21
InChIInChI=1S/C47H33N3/c1-47(2)40-17-9-6-14-35(40)36-26-24-33(28-41(36)47)30-20-22-31(23-21-30)34-25-27-38-37-15-8-11-19-43(37)50(44(38)29-34)46-48-42-18-10-7-16-39(42)45(49-46)32-12-4-3-5-13-32/h3-29H,1-2H3
InChIKeyZOQJYDIIFYHKRI-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.03
Rot. Bonds4

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

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 129312343) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID129312343
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c5c4)cc3)cc21
InChIInChI=1S/C47H33N3/c1-47(2)40-17-9-6-14-35(40)36-26-24-33(28-41(36)47)30-20-22-31(23-21-30)34-25-27-38-37-15-8-11-19-43(37)50(44(38)29-34)46-48-42-18-10-7-16-39(42)45(49-46)32-12-4-3-5-13-32/h3-29H,1-2H3
InChIKeyZOQJYDIIFYHKRI-UHFFFAOYSA-N
XLogP12.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 164807901
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742742
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
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
9-[4-carbazol-9-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 168742539
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
10-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]quinazolin-2-yl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062762
11-(9,9-dimethylfluoren-2-yl)-5-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 118637348
9-[2,4-bis[2-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]quinazolin-6-yl]-2-(9,9-dimethylfluoren-2-yl)carbazole
CID 126632255

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole (CID 129312343) is 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c5c4)cc3)cc21.
What is the InChIKey of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is ZOQJYDIIFYHKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-47(2)40-17-9-6-14-35(40)36-26-24-33(28-41(36)47)30-20-22-31(23-21-30)34-25-27-38-37-15-8-11-19-43(37)50(44(38)29-34)46-48-42-18-10-7-16-39(42)45(49-46)32-12-4-3-5-13-32/h3-29H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole?
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 639.80 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 129312343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).