3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole

C120H78N2 — CID 161483514

IUPAC3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6cccc7ccccc67)cc4)cn5-c4ccc(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C64H41N.C56H37N/c1-4-18-50-43(13-1)16-11-25-52(50)45-29-27-42(28-30-45)48-35-37-64-61(39-48)62(47-33-31-46(32-34-47)53-26-12-17-44-14-2-5-19-51(44)53)41-65(64)63-38-36-58(56-22-9-10-24-59(56)63)60-40-49-15-3-6-20-54(49)55-21-7-8-23-57(55)60;1-3-13-38(14-4-1)40-23-25-42(26-24-40)44-31-33-56-53(35-44)54(43-29-27-41(28-30-43)39-15-5-2-6-16-39)37-57(56)55-34-32-50(48-20-11-12-22-51(48)55)52-36-45-17-7-8-18-46(45)47-19-9-10-21-49(47)52/h1-41H;1-37H
InChIKeyWERFXMJTYSAYTK-UHFFFAOYSA-N
MW1547.96 g/mol
LogP33.16
Rot. Bonds12

About 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole

3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole (PubChem CID 161483514) has the molecular formula C120H78N2 and a molecular weight of 1547.96 g/mol. Its IUPAC name is 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole.

Molecular Properties

Compound Name3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole
PubChem CID161483514
Molecular FormulaC120H78N2
Molecular Weight1547.96 g/mol
Exact Mass1546.62
IUPAC Name3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6cccc7ccccc67)cc4)cn5-c4ccc(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C64H41N.C56H37N/c1-4-18-50-43(13-1)16-11-25-52(50)45-29-27-42(28-30-45)48-35-37-64-61(39-48)62(47-33-31-46(32-34-47)53-26-12-17-44-14-2-5-19-51(44)53)41-65(64)63-38-36-58(56-22-9-10-24-59(56)63)60-40-49-15-3-6-20-54(49)55-21-7-8-23-57(55)60;1-3-13-38(14-4-1)40-23-25-42(26-24-40)44-31-33-56-53(35-44)54(43-29-27-41(28-30-43)39-15-5-2-6-16-39)37-57(56)55-34-32-50(48-20-11-12-22-51(48)55)52-36-45-17-7-8-18-46(45)47-19-9-10-21-49(47)52/h1-41H;1-37H
InChIKeyWERFXMJTYSAYTK-UHFFFAOYSA-N
XLogP33.16
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001547.96
LogP ≤ 533.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole with MolForge

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Related Compounds

3,5-bis(4-phenanthren-9-ylphenyl)-1-(4-phenylphenyl)indole
CID 126620677
1-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole
CID 126620554
3,5-bis(4-naphthalen-1-ylphenyl)-1-(7,9,9-triphenylfluoren-2-yl)indole
CID 126620415
1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-naphthalen-1-ylphenyl)indole;1-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)-3,5-bis(4-phenylphenyl)indole
CID 160639859
1-(5,5-dimethyl-7-phenyldibenzothiophen-3-yl)-3,5-bis(4-phenanthren-9-ylphenyl)indole
CID 126620713
1-(3-naphthalen-1-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;1-(3-naphthalen-2-ylphenyl)-5-(4-naphthalen-1-ylphenyl)naphthalene;9-[4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[4-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[5-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]phenyl]phenanthrene;9-[4-[6-(3-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;9-[4-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]phenyl]phenanthrene;2-[4-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]triphenylene;1-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)naphthalene;1-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)naphthalene;2-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)naphthalene
CID 159867264
1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
CID 159069619
3-(3-naphthalen-1-ylphenyl)-9-phenanthren-9-ylcarbazole
CID 88569900
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(5-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene
CID 161003965
9-naphthalen-1-ylphenanthrene
CID 20606742

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole?
The IUPAC name of 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole (CID 161483514) is 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole.
What is the SMILES notation for 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole?
The canonical SMILES for 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole is c1ccc(-c2ccc(-c3ccc4c(c3)c(-c3ccc(-c5ccccc5)cc3)cn4-c3ccc(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc2)cc1.c1ccc2c(-c3ccc(-c4ccc5c(c4)c(-c4ccc(-c6cccc7ccccc67)cc4)cn5-c4ccc(-c5cc6ccccc6c6ccccc56)c5ccccc45)cc3)cccc2c1.
What is the InChIKey of 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole?
The InChIKey is WERFXMJTYSAYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N.C56H37N/c1-4-18-50-43(13-1)16-11-25-52(50)45-29-27-42(28-30-45)48-35-37-64-61(39-48)62(47-33-31-46(32-34-47)53-26-12-17-44-14-2-5-19-51(44)53)41-65(64)63-38-36-58(56-22-9-10-24-59(56)63)60-40-49-15-3-6-20-54(49)55-21-7-8-23-57(55)60;1-3-13-38(14-4-1)40-23-25-42(26-24-40)44-31-33-56-53(35-44)54(43-29-27-41(28-30-43)39-15-5-2-6-16-39)37-57(56)55-34-32-50(48-20-11-12-22-51(48)55)52-36-45-17-7-8-18-46(45)47-19-9-10-21-49(47)52/h1-41H;1-37H.
What are the key properties of 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole?
3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole has a molecular weight of 1547.96 g/mol, XLogP of 33.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-naphthalen-1-ylphenyl)-1-(4-phenanthren-9-ylnaphthalen-1-yl)indole;1-(4-phenanthren-9-ylnaphthalen-1-yl)-3,5-bis(4-phenylphenyl)indole is sourced from PubChem (CID 161483514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).