9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole

C51H33N5 — CID 90062811

IUPAC9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(ccn7-c7ccccc7)cc65)c4)nc4ccccc34)c2)cc1
InChIInChI=1S/C51H33N5/c1-4-15-34(16-5-1)38-30-45(35-17-6-2-7-18-35)52-46(31-38)50-42-24-10-12-25-44(42)53-51(54-50)37-19-14-22-40(29-37)56-47-26-13-11-23-41(47)43-33-48-36(32-49(43)56)27-28-55(48)39-20-8-3-9-21-39/h1-33H
InChIKeyJJDSTDIZCOPQAQ-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.73
Rot. Bonds6

About 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole

9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole (PubChem CID 90062811) has the molecular formula C51H33N5 and a molecular weight of 715.86 g/mol. Its IUPAC name is 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
PubChem CID90062811
Molecular FormulaC51H33N5
Molecular Weight715.86 g/mol
Exact Mass715.27
IUPAC Name9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(ccn7-c7ccccc7)cc65)c4)nc4ccccc34)c2)cc1
InChIInChI=1S/C51H33N5/c1-4-15-34(16-5-1)38-30-45(35-17-6-2-7-18-35)52-46(31-38)50-42-24-10-12-25-44(42)53-51(54-50)37-19-14-22-40(29-37)56-47-26-13-11-23-41(47)43-33-48-36(32-49(43)56)27-28-55(48)39-20-8-3-9-21-39/h1-33H
InChIKeyJJDSTDIZCOPQAQ-UHFFFAOYSA-N
XLogP12.73
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831
3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 90062827
9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062784
9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 160841836
9,17-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9,17,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267302
10-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223665
6-[4-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 118317331
9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062780
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-16-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223606
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267570
11-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 156556366
3-phenyl-9-(3-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-b]carbazole
CID 118317283

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The IUPAC name of 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole (CID 90062811) is 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole.
What is the SMILES notation for 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The canonical SMILES for 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3nc(-c4cccc(-n5c6ccccc6c6cc7c(ccn7-c7ccccc7)cc65)c4)nc4ccccc34)c2)cc1.
What is the InChIKey of 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The InChIKey is JJDSTDIZCOPQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5/c1-4-15-34(16-5-1)38-30-45(35-17-6-2-7-18-35)52-46(31-38)50-42-24-10-12-25-44(42)53-51(54-50)37-19-14-22-40(29-37)56-47-26-13-11-23-41(47)43-33-48-36(32-49(43)56)27-28-55(48)39-20-8-3-9-21-39/h1-33H.
What are the key properties of 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole has a molecular weight of 715.86 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole is sourced from PubChem (CID 90062811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).