1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole

C44H28N6 — CID 90090897

IUPAC1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2ccc3ccc4c5ccccc5n(-c5cnc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)cn5)c4c32)cc1
InChIInChI=1S/C44H28N6/c1-3-11-31(12-4-1)47-25-23-29-19-21-35-33-15-7-9-17-37(33)49(43(35)41(29)47)39-27-46-40(28-45-39)50-38-18-10-8-16-34(38)36-22-20-30-24-26-48(42(30)44(36)50)32-13-5-2-6-14-32/h1-28H
InChIKeyIXMBOTDNPRCKFM-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.56
Rot. Bonds4

About 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole

1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole (PubChem CID 90090897) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
PubChem CID90090897
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-n2ccc3ccc4c5ccccc5n(-c5cnc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)cn5)c4c32)cc1
InChIInChI=1S/C44H28N6/c1-3-11-31(12-4-1)47-25-23-29-19-21-35-33-15-7-9-17-37(33)49(43(35)41(29)47)39-27-46-40(28-45-39)50-38-18-10-8-16-34(38)36-22-20-30-24-26-48(42(30)44(36)50)32-13-5-2-6-14-32/h1-28H
InChIKeyIXMBOTDNPRCKFM-UHFFFAOYSA-N
XLogP10.56
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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10-phenyl-1-(5-pyridin-4-yl-2-pyridinyl)pyrrolo[2,3-a]carbazole
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1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
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CID 90371617
1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315994
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
1-phenyl-10-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118317252
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90130670
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole (CID 90090897) is 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole is c1ccc(-n2ccc3ccc4c5ccccc5n(-c5cnc(-n6c7ccccc7c7ccc8ccn(-c9ccccc9)c8c76)cn5)c4c32)cc1.
What is the InChIKey of 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole?
The InChIKey is IXMBOTDNPRCKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-3-11-31(12-4-1)47-25-23-29-19-21-35-33-15-7-9-17-37(33)49(43(35)41(29)47)39-27-46-40(28-45-39)50-38-18-10-8-16-34(38)36-22-20-30-24-26-48(42(30)44(36)50)32-13-5-2-6-14-32/h1-28H.
What are the key properties of 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole?
1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole has a molecular weight of 640.75 g/mol, XLogP of 10.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-10-[5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrazin-2-yl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 90090897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).