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

C112H70N10 — CID 162263267

IUPAC2-[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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c7ccccc7n6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc5n4)cc32)cc1
InChIInChI=1S/2C56H35N5/c1-2-14-39(15-3-1)59-51-24-12-8-19-44(51)47-34-37(29-33-53(47)59)38-28-32-45-43-18-7-13-25-52(43)61(54(45)35-38)56-57-48-21-9-4-20-46(48)55(58-56)36-26-30-40(31-27-36)60-49-22-10-5-16-41(49)42-17-6-11-23-50(42)60;1-2-14-39(15-3-1)60-51-24-12-7-18-43(51)45-32-28-38(35-54(45)60)37-29-33-53-47(34-37)44-19-8-13-25-52(44)61(53)56-57-48-21-9-4-20-46(48)55(58-56)36-26-30-40(31-27-36)59-49-22-10-5-16-41(49)42-17-6-11-23-50(42)59/h2*1-35H
InChIKeyZZNWUARWEQRXTH-UHFFFAOYSA-N
MW1555.86 g/mol
LogP28.51
Rot. Bonds10

About 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

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 (PubChem CID 162263267) has the molecular formula C112H70N10 and a molecular weight of 1555.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID162263267
Molecular FormulaC112H70N10
Molecular Weight1555.86 g/mol
Exact Mass1554.58
IUPAC Name2-[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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c7ccccc7n6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc5n4)cc32)cc1
InChIInChI=1S/2C56H35N5/c1-2-14-39(15-3-1)59-51-24-12-8-19-44(51)47-34-37(29-33-53(47)59)38-28-32-45-43-18-7-13-25-52(43)61(54(45)35-38)56-57-48-21-9-4-20-46(48)55(58-56)36-26-30-40(31-27-36)60-49-22-10-5-16-41(49)42-17-6-11-23-50(42)60;1-2-14-39(15-3-1)60-51-24-12-7-18-43(51)45-32-28-38(35-54(45)60)37-29-33-53-47(34-37)44-19-8-13-25-52(44)61(53)56-57-48-21-9-4-20-46(48)55(58-56)36-26-30-40(31-27-36)59-49-22-10-5-16-41(49)42-17-6-11-23-50(42)59/h2*1-35H
InChIKeyZZNWUARWEQRXTH-UHFFFAOYSA-N
XLogP28.51
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001555.86
LogP ≤ 528.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
2-(9-phenylcarbazol-3-yl)-9-[4-[4-(5-phenyl-2-pyridinyl)phenyl]quinazolin-2-yl]carbazole
CID 90129224
2-[9-(2,3-diphenylquinoxalin-6-yl)carbazol-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163545205
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149729
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
5-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 138606242

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)c7ccccc7n6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc5n4)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is ZZNWUARWEQRXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H35N5/c1-2-14-39(15-3-1)59-51-24-12-8-19-44(51)47-34-37(29-33-53(47)59)38-28-32-45-43-18-7-13-25-52(43)61(54(45)35-38)56-57-48-21-9-4-20-46(48)55(58-56)36-26-30-40(31-27-36)60-49-22-10-5-16-41(49)42-17-6-11-23-50(42)60;1-2-14-39(15-3-1)60-51-24-12-7-18-43(51)45-32-28-38(35-54(45)60)37-29-33-53-47(34-37)44-19-8-13-25-52(44)61(53)56-57-48-21-9-4-20-46(48)55(58-56)36-26-30-40(31-27-36)59-49-22-10-5-16-41(49)42-17-6-11-23-50(42)59/h2*1-35H.
What are the key properties of 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?
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 has a molecular weight of 1555.86 g/mol, XLogP of 28.51, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162263267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).