3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole

C50H32N4 — CID 139315826

IUPAC3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C50H32N4/c1-3-15-33(16-4-1)42-31-35(27-29-40(42)50-51-44-23-11-7-22-41(44)49(52-50)34-17-5-2-6-18-34)54-47-26-14-10-21-39(47)43-32-36(28-30-48(43)54)53-45-24-12-8-19-37(45)38-20-9-13-25-46(38)53/h1-32H
InChIKeyGWUBEOOCUCRZRK-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole

3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole (PubChem CID 139315826) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
PubChem CID139315826
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C50H32N4/c1-3-15-33(16-4-1)42-31-35(27-29-40(42)50-51-44-23-11-7-22-41(44)49(52-50)34-17-5-2-6-18-34)54-47-26-14-10-21-39(47)43-32-36(28-30-48(43)54)53-45-24-12-8-19-37(45)38-20-9-13-25-46(38)53/h1-32H
InChIKeyGWUBEOOCUCRZRK-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-[4-[3-[4-(4-carbazol-9-yl-2-phenylphenyl)phenyl]quinoxalin-2-yl]phenyl]-3-phenylphenyl]carbazole
CID 59702533
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
9-[4-[4-[3-[4-[4-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)phenyl]carbazole
CID 59702564
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
5-phenyl-11-[2-phenyl-5-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 138533187
9-[3-(4-naphthalen-2-ylquinazolin-2-yl)-4-phenylphenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134531489
2-phenyl-3-(2-phenylnaphthalen-1-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118204076
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
3-[4-[9-(4-methylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067272
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole (CID 139315826) is 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)ccc2-c2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
The InChIKey is GWUBEOOCUCRZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-15-33(16-4-1)42-31-35(27-29-40(42)50-51-44-23-11-7-22-41(44)49(52-50)34-17-5-2-6-18-34)54-47-26-14-10-21-39(47)43-32-36(28-30-48(43)54)53-45-24-12-8-19-37(45)38-20-9-13-25-46(38)53/h1-32H.
What are the key properties of 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole?
3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-phenyl-4-(4-phenylquinazolin-2-yl)phenyl]carbazole is sourced from PubChem (CID 139315826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).