3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene

C184H114 — CID 158593797

IUPAC3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc2cc(-c3ccc(-c4cc5c(cc4-c4ccc(-c6ccc7ccccc7c6)cc4)-c4ccc(-c6ccc7ccccc7c6)c6cccc-5c46)cc3)ccc2c1.c1ccc2cc(-c3ccc(-c4ccc5c(c4)-c4cccc6c(-c7ccc8ccccc8c7)ccc-5c46)cc3)ccc2c1.c1ccc2cc(-c3ccc4c(c3)-c3cccc5c(-c6ccc7ccccc7c6)ccc-4c35)ccc2c1
InChIInChI=1S/C58H36.C48H30.C42H26.C36H22/c1-4-11-44-32-47(27-20-37(44)8-1)40-16-23-42(24-17-40)54-35-56-52-15-7-14-51-50(49-29-22-39-10-3-6-13-46(39)34-49)30-31-53(58(51)52)57(56)36-55(54)43-25-18-41(19-26-43)48-28-21-38-9-2-5-12-45(38)33-48;1-3-13-31(14-4-1)44-30-43(33-27-25-32(26-28-33)42-29-36-17-7-8-20-37(36)38-21-9-10-22-39(38)42)46(35-15-5-2-6-16-35)48-41-24-12-19-34-18-11-23-40(45(34)41)47(44)48;1-3-8-31-24-33(18-16-27(31)6-1)29-12-14-30(15-13-29)34-20-21-37-40-23-22-36(35-19-17-28-7-2-4-9-32(28)25-35)38-10-5-11-39(42(38)40)41(37)26-34;1-3-8-25-20-27(14-12-23(25)6-1)28-16-17-31-34-19-18-30(29-15-13-24-7-2-4-9-26(24)21-29)32-10-5-11-33(36(32)34)35(31)22-28/h1-36H;1-30H;1-26H;1-22H
InChIKeyHUTPYDQXCBXWRQ-UHFFFAOYSA-N
MW2324.94 g/mol
LogP51.67
Rot. Bonds14

About 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene

3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene (PubChem CID 158593797) has the molecular formula C184H114 and a molecular weight of 2324.94 g/mol. Its IUPAC name is 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene.

Molecular Properties

Compound Name3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene
PubChem CID158593797
Molecular FormulaC184H114
Molecular Weight2324.94 g/mol
Exact Mass2322.89
IUPAC Name3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene
SMILESc1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc2cc(-c3ccc(-c4cc5c(cc4-c4ccc(-c6ccc7ccccc7c6)cc4)-c4ccc(-c6ccc7ccccc7c6)c6cccc-5c46)cc3)ccc2c1.c1ccc2cc(-c3ccc(-c4ccc5c(c4)-c4cccc6c(-c7ccc8ccccc8c7)ccc-5c46)cc3)ccc2c1.c1ccc2cc(-c3ccc4c(c3)-c3cccc5c(-c6ccc7ccccc7c6)ccc-4c35)ccc2c1
InChIInChI=1S/C58H36.C48H30.C42H26.C36H22/c1-4-11-44-32-47(27-20-37(44)8-1)40-16-23-42(24-17-40)54-35-56-52-15-7-14-51-50(49-29-22-39-10-3-6-13-46(39)34-49)30-31-53(58(51)52)57(56)36-55(54)43-25-18-41(19-26-43)48-28-21-38-9-2-5-12-45(38)33-48;1-3-13-31(14-4-1)44-30-43(33-27-25-32(26-28-33)42-29-36-17-7-8-20-37(36)38-21-9-10-22-39(38)42)46(35-15-5-2-6-16-35)48-41-24-12-19-34-18-11-23-40(45(34)41)47(44)48;1-3-8-31-24-33(18-16-27(31)6-1)29-12-14-30(15-13-29)34-20-21-37-40-23-22-36(35-19-17-28-7-2-4-9-32(28)25-35)38-10-5-11-39(42(38)40)41(37)26-34;1-3-8-25-20-27(14-12-23(25)6-1)28-16-17-31-34-19-18-30(29-15-13-24-7-2-4-9-26(24)21-29)32-10-5-11-33(36(32)34)35(31)22-28/h1-36H;1-30H;1-26H;1-22H
InChIKeyHUTPYDQXCBXWRQ-UHFFFAOYSA-N
XLogP51.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms184
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002324.94
LogP ≤ 551.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene?
The IUPAC name of 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene (CID 158593797) is 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene.
What is the SMILES notation for 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene?
The canonical SMILES for 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene is c1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c(-c3ccccc3)c3c2-c2cccc4cccc-3c24)cc1.c1ccc2cc(-c3ccc(-c4cc5c(cc4-c4ccc(-c6ccc7ccccc7c6)cc4)-c4ccc(-c6ccc7ccccc7c6)c6cccc-5c46)cc3)ccc2c1.c1ccc2cc(-c3ccc(-c4ccc5c(c4)-c4cccc6c(-c7ccc8ccccc8c7)ccc-5c46)cc3)ccc2c1.c1ccc2cc(-c3ccc4c(c3)-c3cccc5c(-c6ccc7ccccc7c6)ccc-4c35)ccc2c1.
What is the InChIKey of 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene?
The InChIKey is HUTPYDQXCBXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36.C48H30.C42H26.C36H22/c1-4-11-44-32-47(27-20-37(44)8-1)40-16-23-42(24-17-40)54-35-56-52-15-7-14-51-50(49-29-22-39-10-3-6-13-46(39)34-49)30-31-53(58(51)52)57(56)36-55(54)43-25-18-41(19-26-43)48-28-21-38-9-2-5-12-45(38)33-48;1-3-13-31(14-4-1)44-30-43(33-27-25-32(26-28-33)42-29-36-17-7-8-20-37(36)38-21-9-10-22-39(38)42)46(35-15-5-2-6-16-35)48-41-24-12-19-34-18-11-23-40(45(34)41)47(44)48;1-3-8-31-24-33(18-16-27(31)6-1)29-12-14-30(15-13-29)34-20-21-37-40-23-22-36(35-19-17-28-7-2-4-9-32(28)25-35)38-10-5-11-39(42(38)40)41(37)26-34;1-3-8-25-20-27(14-12-23(25)6-1)28-16-17-31-34-19-18-30(29-15-13-24-7-2-4-9-26(24)21-29)32-10-5-11-33(36(32)34)35(31)22-28/h1-36H;1-30H;1-26H;1-22H.
What are the key properties of 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene?
3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene has a molecular weight of 2324.94 g/mol, XLogP of 51.67, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dinaphthalen-2-ylfluoranthene;3-naphthalen-2-yl-8,9-bis(4-naphthalen-2-ylphenyl)fluoranthene;3-naphthalen-2-yl-8-(4-naphthalen-2-ylphenyl)fluoranthene;8-(4-phenanthren-9-ylphenyl)-7,10-diphenylfluoranthene is sourced from PubChem (CID 158593797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).