3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole

C94H60N8 — CID 161462831

IUPAC3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)ccc32)c([2H])c1[2H].c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C50H32N4.C44H28N4/c1-3-13-33(14-4-1)49-41-19-7-10-20-44(41)51-50(52-49)34-23-27-38(28-24-34)54-46-22-12-9-18-40(46)43-32-36(26-30-48(43)54)35-25-29-47-42(31-35)39-17-8-11-21-45(39)53(47)37-15-5-2-6-16-37;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32/h1-32H;1-28H/i2D,5D,6D,15D,16D;
InChIKeyWCASHNANROXXAA-UMAOGOMTSA-N
MW1306.60 g/mol
LogP23.98
Rot. Bonds9

About 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole

3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 161462831) has the molecular formula C94H60N8 and a molecular weight of 1306.60 g/mol. Its IUPAC name is 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID161462831
Molecular FormulaC94H60N8
Molecular Weight1306.60 g/mol
Exact Mass1305.53
IUPAC Name3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole
SMILES[2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)ccc32)c([2H])c1[2H].c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1
InChIInChI=1S/C50H32N4.C44H28N4/c1-3-13-33(14-4-1)49-41-19-7-10-20-44(41)51-50(52-49)34-23-27-38(28-24-34)54-46-22-12-9-18-40(46)43-32-36(26-30-48(43)54)35-25-29-47-42(31-35)39-17-8-11-21-45(39)53(47)37-15-5-2-6-16-37;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32/h1-32H;1-28H/i2D,5D,6D,15D,16D;
InChIKeyWCASHNANROXXAA-UMAOGOMTSA-N
XLogP23.98
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001306.60
LogP ≤ 523.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole with MolForge

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Related Compounds

3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 160822067
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 161499770
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole (CID 161462831) is 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole is [2H]c1c([2H])c([2H])c(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)ccc32)c([2H])c1[2H].c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.
What is the InChIKey of 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is WCASHNANROXXAA-UMAOGOMTSA-N. The full InChI is InChI=1S/C50H32N4.C44H28N4/c1-3-13-33(14-4-1)49-41-19-7-10-20-44(41)51-50(52-49)34-23-27-38(28-24-34)54-46-22-12-9-18-40(46)43-32-36(26-30-48(43)54)35-25-29-47-42(31-35)39-17-8-11-21-45(39)53(47)37-15-5-2-6-16-37;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32/h1-32H;1-28H/i2D,5D,6D,15D,16D;.
What are the key properties of 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole?
3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 1306.60 g/mol, XLogP of 23.98, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 161462831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).