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

C47H33N3 — CID 145327894

IUPAC3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc3n4-c3ccccc3)cccc21
InChIInChI=1S/C47H33N3/c1-47(2)39-21-11-9-18-35(39)44-34(20-13-22-40(44)47)31-24-26-42-37(28-31)38-29-32(25-27-43(38)50(42)33-16-7-4-8-17-33)46-48-41-23-12-10-19-36(41)45(49-46)30-14-5-3-6-15-30/h3-29H,1-2H3
InChIKeyBHTWVPXCNCOURY-UHFFFAOYSA-N
MW639.80 g/mol
LogP12.03
Rot. Bonds4

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

3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 145327894) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
PubChem CID145327894
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc3n4-c3ccccc3)cccc21
InChIInChI=1S/C47H33N3/c1-47(2)39-21-11-9-18-35(39)44-34(20-13-22-40(44)47)31-24-26-42-37(28-31)38-29-32(25-27-43(38)50(42)33-16-7-4-8-17-33)46-48-41-23-12-10-19-36(41)45(49-46)30-14-5-3-6-15-30/h3-29H,1-2H3
InChIKeyBHTWVPXCNCOURY-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

6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327625
2-(9,9-dimethylfluoren-4-yl)-4-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]quinazoline
CID 135298558
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
9,9-dimethyl-18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635762
12-[3-[2,4-bis[4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]quinazolin-6-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 126630713
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
7,7-dimethyl-5-phenyl-2-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134594832
18,18-dimethyl-9-phenyl-21-[4-(4-phenylquinazolin-2-yl)phenyl]-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635654
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
3-[9,9-dimethyl-5-[3-(1-phenylbenzimidazol-2-yl)phenyl]fluoren-2-yl]-9-phenylcarbazole
CID 134595026
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole (CID 145327894) is 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)c6ccccc6n5)ccc3n4-c3ccccc3)cccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is BHTWVPXCNCOURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-47(2)39-21-11-9-18-35(39)44-34(20-13-22-40(44)47)31-24-26-42-37(28-31)38-29-32(25-27-43(38)50(42)33-16-7-4-8-17-33)46-48-41-23-12-10-19-36(41)45(49-46)30-14-5-3-6-15-30/h3-29H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole?
3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(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 3-(9,9-dimethylfluoren-4-yl)-9-phenyl-6-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 145327894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).