1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole

C42H32N8 — CID 10841939

IUPAC1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole
SMILESc1ccn(-c2c(-n3cccc3)c(-n3cccc3)c3c(-n4cccc4)c(-n4cccc4)c(-n4cccc4)c(-n4cccc4)c3c2-n2cccc2)c1
InChIInChI=1S/C42H32N8/c1-2-18-43(17-1)35-33-34(37(45-21-5-6-22-45)40(48-27-11-12-28-48)39(35)47-25-9-10-26-47)38(46-23-7-8-24-46)42(50-31-15-16-32-50)41(49-29-13-14-30-49)36(33)44-19-3-4-20-44/h1-32H
InChIKeyACOLQSWJLCEXJQ-UHFFFAOYSA-N
MW648.77 g/mol
LogP9.17
Rot. Bonds8

About 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole

1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole (PubChem CID 10841939) has the molecular formula C42H32N8 and a molecular weight of 648.77 g/mol. Its IUPAC name is 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole.

Molecular Properties

Compound Name1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole
PubChem CID10841939
Molecular FormulaC42H32N8
Molecular Weight648.77 g/mol
Exact Mass648.27
IUPAC Name1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole
SMILESc1ccn(-c2c(-n3cccc3)c(-n3cccc3)c3c(-n4cccc4)c(-n4cccc4)c(-n4cccc4)c(-n4cccc4)c3c2-n2cccc2)c1
InChIInChI=1S/C42H32N8/c1-2-18-43(17-1)35-33-34(37(45-21-5-6-22-45)40(48-27-11-12-28-48)39(35)47-25-9-10-26-47)38(46-23-7-8-24-46)42(50-31-15-16-32-50)41(49-29-13-14-30-49)36(33)44-19-3-4-20-44/h1-32H
InChIKeyACOLQSWJLCEXJQ-UHFFFAOYSA-N
XLogP9.17
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-Phenyl-20-[2,3,6-tri(carbazol-9-yl)-4,5-bis[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 167107978
Di(bisindolyl)phenylmethane
CID 129874748
3,4-Diethyl-1-[1,3,4,5,6,7,8-heptakis(3,4-diethylpyrrol-1-yl)naphthalen-2-yl]pyrrole
CID 132511205
1-[2-[2,3,4,5,6-Penta(pyrrol-1-yl)phenyl]-3,4,5,6-tetra(pyrrol-1-yl)phenyl]pyrrole
CID 168340428
9-Phenyl-20-[2,3,6-tri(carbazol-9-yl)-5-(3,5-dimethylphenyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 165050131
9-Phenyl-20-[2,3,6-tri(carbazol-9-yl)-4-(3-methylphenyl)-5-[3-(trifluoromethyl)phenyl]phenyl]-4,9,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 165061620
4,10,16-Tris[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]propyl]-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 59412037
9-Phenyl-14-[3-(5-quinolin-8-ylindolo[3,2-c]carbazol-12-yl)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 68271019
12-[3-[5-[3,5-Bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrazin-2-yl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 88576955
4,10-Bis[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]propyl]-16-[3-[4-(3-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)phenyl]propyl]-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 89046563
3-Phenyl-6-[3-phenyl-5-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 90091060
3-(9-Phenylcarbazol-3-yl)-10-[4-[4-[3-(9-phenylcarbazol-3-yl)pyrrolo[3,2-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[3,2-a]carbazole
CID 90091140

Frequently Asked Questions

What is the IUPAC name of 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole?
The IUPAC name of 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole (CID 10841939) is 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole.
What is the SMILES notation for 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole?
The canonical SMILES for 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole is c1ccn(-c2c(-n3cccc3)c(-n3cccc3)c3c(-n4cccc4)c(-n4cccc4)c(-n4cccc4)c(-n4cccc4)c3c2-n2cccc2)c1.
What is the InChIKey of 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole?
The InChIKey is ACOLQSWJLCEXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N8/c1-2-18-43(17-1)35-33-34(37(45-21-5-6-22-45)40(48-27-11-12-28-48)39(35)47-25-9-10-26-47)38(46-23-7-8-24-46)42(50-31-15-16-32-50)41(49-29-13-14-30-49)36(33)44-19-3-4-20-44/h1-32H.
What are the key properties of 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole?
1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole has a molecular weight of 648.77 g/mol, XLogP of 9.17, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3,4,5,6,7,8-hepta(pyrrol-1-yl)naphthalen-2-yl]pyrrole is sourced from PubChem (CID 10841939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).