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

C47H35N3 — CID 129312385

IUPAC1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(C6N=C(c7ccccc7)c7ccccc7N6)c45)cc3)cc21
InChIInChI=1S/C47H35N3/c1-47(2)40-20-9-6-15-35(40)36-28-27-33(29-41(36)47)30-23-25-31(26-24-30)34-18-12-19-38-37-16-8-11-22-43(37)50(45(34)38)46-48-42-21-10-7-17-39(42)44(49-46)32-13-4-3-5-14-32/h3-29,46,48H,1-2H3
InChIKeyKRTYSLOFAZSHGG-UHFFFAOYSA-N
MW641.82 g/mol
LogP11.85
Rot. Bonds4

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

1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole (PubChem CID 129312385) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
PubChem CID129312385
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Name1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(C6N=C(c7ccccc7)c7ccccc7N6)c45)cc3)cc21
InChIInChI=1S/C47H35N3/c1-47(2)40-20-9-6-15-35(40)36-28-27-33(29-41(36)47)30-23-25-31(26-24-30)34-18-12-19-38-37-16-8-11-22-43(37)50(45(34)38)46-48-42-21-10-7-17-39(42)44(49-46)32-13-4-3-5-14-32/h3-29,46,48H,1-2H3
InChIKeyKRTYSLOFAZSHGG-UHFFFAOYSA-N
XLogP11.85
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 511.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,6-diphenyl-1,2-dihydroquinazolin-2-yl)-15,15-dimethyl-23-thia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 129295251
7-methyl-7-phenyl-5-(4-phenyl-1,2-dihydroquinazolin-2-yl)indeno[2,1-b]carbazole
CID 145377266
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
12-(4-phenyl-1,2-dihydroquinazolin-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 163718010
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 129312019
24-[4-(9,9-dimethylfluoren-2-yl)-1,2-dihydrobenzo[h]quinazolin-2-yl]-15-methyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 126634763
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]carbazole
CID 129311945
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 166961471
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
4-(9,9-dimethylfluoren-2-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142572202
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole?
The IUPAC name of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole (CID 129312385) is 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole.
What is the SMILES notation for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole?
The canonical SMILES for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc5c6ccccc6n(C6N=C(c7ccccc7)c7ccccc7N6)c45)cc3)cc21.
What is the InChIKey of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole?
The InChIKey is KRTYSLOFAZSHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3/c1-47(2)40-20-9-6-15-35(40)36-28-27-33(29-41(36)47)30-23-25-31(26-24-30)34-18-12-19-38-37-16-8-11-22-43(37)50(45(34)38)46-48-42-21-10-7-17-39(42)44(49-46)32-13-4-3-5-14-32/h3-29,46,48H,1-2H3.
What are the key properties of 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole?
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole has a molecular weight of 641.82 g/mol, XLogP of 11.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenyl-1,2-dihydroquinazolin-2-yl)carbazole is sourced from PubChem (CID 129312385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).