6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole

C64H44N4 — CID 164968420

IUPAC6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
SMILESC1=C(c2cc(-c3ccccc3)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc(-c5ccccc5)cc43)c(-c3ccccc3)c2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C64H44N4/c1-6-20-43(21-7-1)48-34-36-53-56-41-50(67-59-32-18-16-30-51(59)52-31-17-19-33-60(52)67)35-37-61(56)68(62(53)40-48)63-54(44-22-8-2-9-23-44)38-49(39-55(63)45-24-10-3-11-25-45)58-42-57(46-26-12-4-13-27-46)65-64(66-58)47-28-14-5-15-29-47/h1-42,64,66H
InChIKeyBKBMADJXKNOJCT-UHFFFAOYSA-N
MW869.08 g/mol
LogP16.01
Rot. Bonds8

About 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole

6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole (PubChem CID 164968420) has the molecular formula C64H44N4 and a molecular weight of 869.08 g/mol. Its IUPAC name is 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
PubChem CID164968420
Molecular FormulaC64H44N4
Molecular Weight869.08 g/mol
Exact Mass868.36
IUPAC Name6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
SMILESC1=C(c2cc(-c3ccccc3)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc(-c5ccccc5)cc43)c(-c3ccccc3)c2)NC(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C64H44N4/c1-6-20-43(21-7-1)48-34-36-53-56-41-50(67-59-32-18-16-30-51(59)52-31-17-19-33-60(52)67)35-37-61(56)68(62(53)40-48)63-54(44-22-8-2-9-23-44)38-49(39-55(63)45-24-10-3-11-25-45)58-42-57(46-26-12-4-13-27-46)65-64(66-58)47-28-14-5-15-29-47/h1-42,64,66H
InChIKeyBKBMADJXKNOJCT-UHFFFAOYSA-N
XLogP16.01
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.08
LogP ≤ 516.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]phenyl]carbazole
CID 144680701
9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]carbazole
CID 155382380
2,6-di(carbazol-9-yl)-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 153304562
9-dibenzothiophen-2-yl-4-[4-[2-phenyl-6-(3-phenylphenyl)-1,2-dihydropyrimidin-4-yl]phenyl]carbazole
CID 139556148
9-phenyl-2-[4-[4-[2-phenyl-4-(1-phenylnaphthalen-2-yl)-1,2-dihydropyrimidin-6-yl]naphthalen-1-yl]phenyl]carbazole
CID 167257395
7-[4-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214923
6-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-2-phenylcarbazole
CID 146280528
2-(5a,9a-dihydrodibenzothiophen-4-yl)-9-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]carbazole
CID 146532112
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)carbazole
CID 139555395
2-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-5-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 163851529
6-dibenzothiophen-4-yl-9-[3-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-1,3-diphenylcarbazole
CID 144834657
3-carbazol-9-yl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]-6-phenylcarbazole
CID 146280522

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole?
The IUPAC name of 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole (CID 164968420) is 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole.
What is the SMILES notation for 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole?
The canonical SMILES for 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole is C1=C(c2cc(-c3ccccc3)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4ccc(-c5ccccc5)cc43)c(-c3ccccc3)c2)NC(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole?
The InChIKey is BKBMADJXKNOJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N4/c1-6-20-43(21-7-1)48-34-36-53-56-41-50(67-59-32-18-16-30-51(59)52-31-17-19-33-60(52)67)35-37-61(56)68(62(53)40-48)63-54(44-22-8-2-9-23-44)38-49(39-55(63)45-24-10-3-11-25-45)58-42-57(46-26-12-4-13-27-46)65-64(66-58)47-28-14-5-15-29-47/h1-42,64,66H.
What are the key properties of 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole?
6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole has a molecular weight of 869.08 g/mol, XLogP of 16.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)-2,6-diphenylphenyl]-2-phenylcarbazole is sourced from PubChem (CID 164968420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).