9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole

C63H43N3 — CID 176793616

IUPAC9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C63H43N3/c1-63(2)54-28-16-27-50(61(54)53-37-43-23-12-13-24-44(43)38-55(53)63)57-39-56(64-62(65-57)42-21-10-5-11-22-42)48-31-34-58(49-26-15-14-25-47(48)49)66-59-32-29-45(40-17-6-3-7-18-40)35-51(59)52-36-46(30-33-60(52)66)41-19-8-4-9-20-41/h3-39H,1-2H3
InChIKeyAYDSQMIADBEJSU-UHFFFAOYSA-N
MW842.06 g/mol
LogP16.52
Rot. Bonds6

About 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole

9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole (PubChem CID 176793616) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
PubChem CID176793616
Molecular FormulaC63H43N3
Molecular Weight842.06 g/mol
Exact Mass841.35
IUPAC Name9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)nc(-c4ccccc4)n3)cccc21
InChIInChI=1S/C63H43N3/c1-63(2)54-28-16-27-50(61(54)53-37-43-23-12-13-24-44(43)38-55(53)63)57-39-56(64-62(65-57)42-21-10-5-11-22-42)48-31-34-58(49-26-15-14-25-47(48)49)66-59-32-29-45(40-17-6-3-7-18-40)35-51(59)52-36-46(30-33-60(52)66)41-19-8-4-9-20-41/h3-39H,1-2H3
InChIKeyAYDSQMIADBEJSU-UHFFFAOYSA-N
XLogP16.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]carbazole
CID 176794826
9-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole
CID 167237394
9-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-3,6-diphenylcarbazole
CID 176794335
9-[4-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 176793487
9-[3-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 176793872
3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-2-phenylpyrimidine
CID 176795302
3-[2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794552
4-[4-[4-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168778780
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-6-[4-(3,4-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 176794885
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-(6-triphenylen-2-ylnaphthalen-2-yl)pyrimidine
CID 176794659

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole?
The IUPAC name of 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole (CID 176793616) is 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole.
What is the SMILES notation for 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole?
The canonical SMILES for 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole is CC1(C)c2cc3ccccc3cc2-c2c(-c3cc(-c4ccc(-n5c6ccc(-c7ccccc7)cc6c6cc(-c7ccccc7)ccc65)c5ccccc45)nc(-c4ccccc4)n3)cccc21.
What is the InChIKey of 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole?
The InChIKey is AYDSQMIADBEJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3/c1-63(2)54-28-16-27-50(61(54)53-37-43-23-12-13-24-44(43)38-55(53)63)57-39-56(64-62(65-57)42-21-10-5-11-22-42)48-31-34-58(49-26-15-14-25-47(48)49)66-59-32-29-45(40-17-6-3-7-18-40)35-51(59)52-36-46(30-33-60(52)66)41-19-8-4-9-20-41/h3-39H,1-2H3.
What are the key properties of 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole?
9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole has a molecular weight of 842.06 g/mol, XLogP of 16.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]-3,6-diphenylcarbazole is sourced from PubChem (CID 176793616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).