2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole

C42H33N3 — CID 163925777

IUPAC2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole
SMILESCN1c2ccccc2C(c2ccccc2)=NC1n1c2ccccc2c2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C42H33N3/c1-42(2)35-18-10-7-15-30(35)34-25-28(22-24-36(34)42)29-21-23-32-31-16-8-12-20-38(31)45(39(32)26-29)41-43-40(27-13-5-4-6-14-27)33-17-9-11-19-37(33)44(41)3/h4-26,41H,1-3H3
InChIKeyREIHHJPNJXYNCY-UHFFFAOYSA-N
MW579.75 g/mol
LogP10.21
Rot. Bonds3

About 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole

2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole (PubChem CID 163925777) has the molecular formula C42H33N3 and a molecular weight of 579.75 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole
PubChem CID163925777
Molecular FormulaC42H33N3
Molecular Weight579.75 g/mol
Exact Mass579.27
IUPAC Name2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole
SMILESCN1c2ccccc2C(c2ccccc2)=NC1n1c2ccccc2c2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C42H33N3/c1-42(2)35-18-10-7-15-30(35)34-25-28(22-24-36(34)42)29-21-23-32-31-16-8-12-20-38(31)45(39(32)26-29)41-43-40(27-13-5-4-6-14-27)33-17-9-11-19-37(33)44(41)3/h4-26,41H,1-3H3
InChIKeyREIHHJPNJXYNCY-UHFFFAOYSA-N
XLogP10.21
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.75
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-methyl-4-naphthalen-1-yl-2H-quinazolin-2-yl)-3-(9-phenylcarbazol-2-yl)benzo[b]carbazole
CID 142474037
6-(9,9-dimethylfluoren-3-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-naphthalen-1-ylcarbazole
CID 145327658
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
CID 129312385
6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene
CID 176726732
10-[10-(9,9-dimethylfluoren-3-yl)-3-phenylanthracen-9-yl]-9,9-dimethylacridine
CID 59196351
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
2-(9,9-dimethylfluoren-3-yl)-9-(3,5-diphenylphenyl)carbazole;2-(9,9-dimethylfluoren-3-yl)-9-naphthalen-1-ylcarbazole;2-(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 161236957
2-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-3'-yl)-9-(4-phenylphenyl)carbazole
CID 154947405
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742742
5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
CID 59195441

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole?
The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole (CID 163925777) is 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole.
What is the SMILES notation for 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole?
The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole is CN1c2ccccc2C(c2ccccc2)=NC1n1c2ccccc2c2ccc(-c3ccc4c(c3)-c3ccccc3C4(C)C)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole?
The InChIKey is REIHHJPNJXYNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N3/c1-42(2)35-18-10-7-15-30(35)34-25-28(22-24-36(34)42)29-21-23-32-31-16-8-12-20-38(31)45(39(32)26-29)41-43-40(27-13-5-4-6-14-27)33-17-9-11-19-37(33)44(41)3/h4-26,41H,1-3H3.
What are the key properties of 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole?
2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole has a molecular weight of 579.75 g/mol, XLogP of 10.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-3-yl)-9-(1-methyl-4-phenyl-2H-quinazolin-2-yl)carbazole is sourced from PubChem (CID 163925777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).