3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole

C46H30N4 — CID 90177122

IUPAC3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c4[nH]c5ccc(-c6ccc7c(c6)c6ccc8c(ccn8-c8ccccc8)c6n7-c6ccccc6)cc5c4ccc32)cc1
InChIInChI=1S/C46H30N4/c1-4-10-32(11-5-1)48-26-24-37-42(48)22-18-35-39-28-30(16-20-41(39)47-45(35)37)31-17-21-44-40(29-31)36-19-23-43-38(25-27-49(43)33-12-6-2-7-13-33)46(36)50(44)34-14-8-3-9-15-34/h1-29,47H
InChIKeyUYVLEHUMKQOFOR-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.97
Rot. Bonds4

About 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole

3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole (PubChem CID 90177122) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole
PubChem CID90177122
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole
SMILESc1ccc(-n2ccc3c4[nH]c5ccc(-c6ccc7c(c6)c6ccc8c(ccn8-c8ccccc8)c6n7-c6ccccc6)cc5c4ccc32)cc1
InChIInChI=1S/C46H30N4/c1-4-10-32(11-5-1)48-26-24-37-42(48)22-18-35-39-28-30(16-20-41(39)47-45(35)37)31-17-21-44-40(29-31)36-19-23-43-38(25-27-49(43)33-12-6-2-7-13-33)46(36)50(44)34-14-8-3-9-15-34/h1-29,47H
InChIKeyUYVLEHUMKQOFOR-UHFFFAOYSA-N
XLogP11.97
TPSA30.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole?
The IUPAC name of 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole (CID 90177122) is 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole?
The canonical SMILES for 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole is c1ccc(-n2ccc3c4[nH]c5ccc(-c6ccc7c(c6)c6ccc8c(ccn8-c8ccccc8)c6n7-c6ccccc6)cc5c4ccc32)cc1.
What is the InChIKey of 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole?
The InChIKey is UYVLEHUMKQOFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-10-32(11-5-1)48-26-24-37-42(48)22-18-35-39-28-30(16-20-41(39)47-45(35)37)31-17-21-44-40(29-31)36-19-23-43-38(25-27-49(43)33-12-6-2-7-13-33)46(36)50(44)34-14-8-3-9-15-34/h1-29,47H.
What are the key properties of 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole?
3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole has a molecular weight of 638.77 g/mol, XLogP of 11.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenyl-7-(3-phenyl-10H-pyrrolo[3,2-a]carbazol-7-yl)pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 90177122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).