2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole

C44H28BrN3 — CID 118337798

IUPAC2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole
SMILESBrc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C44H28BrN3/c45-39-21-11-9-19-35(39)34-18-8-7-17-33(34)30-23-25-36-37-26-24-31(28-42(37)48(41(36)27-30)32-15-5-2-6-16-32)44-46-40-22-12-10-20-38(40)43(47-44)29-13-3-1-4-14-29/h1-28H
InChIKeyJSPWDYVWHKCNJZ-UHFFFAOYSA-N
MW678.63 g/mol
LogP12.16
Rot. Bonds5

About 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole

2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 118337798) has the molecular formula C44H28BrN3 and a molecular weight of 678.63 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole
PubChem CID118337798
Molecular FormulaC44H28BrN3
Molecular Weight678.63 g/mol
Exact Mass677.15
IUPAC Name2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole
SMILESBrc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C44H28BrN3/c45-39-21-11-9-19-35(39)34-18-8-7-17-33(34)30-23-25-36-37-26-24-31(28-42(37)48(41(36)27-30)32-15-5-2-6-16-32)44-46-40-22-12-10-20-38(40)43(47-44)29-13-3-1-4-14-29/h1-28H
InChIKeyJSPWDYVWHKCNJZ-UHFFFAOYSA-N
XLogP12.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.63
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
5-phenyl-11-[2-phenyl-5-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 138533187
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
6-(3,5-diphenylphenyl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-6-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;9,14-diphenyl-5-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 160793015
3-bromo-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
CID 118103152
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
7-[4-[4-(3,5-diphenylphenyl)quinazolin-2-yl]phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 138662103
14-phenyl-11-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole (CID 118337798) is 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole is Brc1ccccc1-c1ccccc1-c1ccc2c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is JSPWDYVWHKCNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28BrN3/c45-39-21-11-9-19-35(39)34-18-8-7-17-33(34)30-23-25-36-37-26-24-31(28-42(37)48(41(36)27-30)32-15-5-2-6-16-32)44-46-40-22-12-10-20-38(40)43(47-44)29-13-3-1-4-14-29/h1-28H.
What are the key properties of 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole?
2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 678.63 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)phenyl]-9-phenyl-7-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 118337798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).