9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene

C219H146 — CID 158174489

IUPAC9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
SMILESc1cc(-c2cc3c4c(cccc4c2)CC3)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)CC4)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6c7c(cccc7c5)CCC6)cc4)c4ccccc34)cccc2c1.c1ccc2c(c1)C1c3ccccc3C2c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc21.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6c7c(cccc7c5)CC6)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C50H32.C43H30.3C42H28/c1-2-14-35-31(12-1)13-11-23-36(35)32-24-26-33(27-25-32)47-37-15-3-5-17-39(37)48(40-18-6-4-16-38(40)47)34-28-29-45-46(30-34)50-43-21-9-7-19-41(43)49(45)42-20-8-10-22-44(42)50;1-2-16-35-29(10-1)11-9-21-36(35)43-39-19-5-3-17-37(39)42(38-18-4-6-20-40(38)43)31-24-22-28(23-25-31)34-26-32-14-7-12-30-13-8-15-33(27-34)41(30)32;1-2-10-30-25-32(22-19-27(30)9-1)31-12-7-13-33(26-31)41-35-14-3-5-16-37(35)42(38-17-6-4-15-36(38)41)39-24-23-29-21-20-28-11-8-18-34(39)40(28)29;1-2-10-29-23-34(21-19-27(29)9-1)42-38-17-5-3-15-36(38)41(37-16-4-6-18-39(37)42)32-14-8-12-30(24-32)35-25-31-13-7-11-28-20-22-33(26-35)40(28)31;1-2-9-31-24-34(22-18-27(31)8-1)42-38-14-5-3-12-36(38)41(37-13-4-6-15-39(37)42)30-19-16-28(17-20-30)35-25-32-11-7-10-29-21-23-33(26-35)40(29)32/h1-30,49-50H;1-7,9-12,14,16-27H,8,13,15H2;1-19,22-26H,20-21H2;1-19,21,23-26H,20,22H2;1-20,22,24-26H,21,23H2
InChIKeyFXVNWRZDRTUWOM-UHFFFAOYSA-N
MW2777.58 g/mol
LogP59.12
Rot. Bonds15

About 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene

9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene (PubChem CID 158174489) has the molecular formula C219H146 and a molecular weight of 2777.58 g/mol. Its IUPAC name is 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene.

Molecular Properties

Compound Name9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
PubChem CID158174489
Molecular FormulaC219H146
Molecular Weight2777.58 g/mol
Exact Mass2775.14
IUPAC Name9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
SMILESc1cc(-c2cc3c4c(cccc4c2)CC3)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)CC4)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6c7c(cccc7c5)CCC6)cc4)c4ccccc34)cccc2c1.c1ccc2c(c1)C1c3ccccc3C2c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc21.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6c7c(cccc7c5)CC6)cc4)c4ccccc34)ccc2c1
InChIInChI=1S/C50H32.C43H30.3C42H28/c1-2-14-35-31(12-1)13-11-23-36(35)32-24-26-33(27-25-32)47-37-15-3-5-17-39(37)48(40-18-6-4-16-38(40)47)34-28-29-45-46(30-34)50-43-21-9-7-19-41(43)49(45)42-20-8-10-22-44(42)50;1-2-16-35-29(10-1)11-9-21-36(35)43-39-19-5-3-17-37(39)42(38-18-4-6-20-40(38)43)31-24-22-28(23-25-31)34-26-32-14-7-12-30-13-8-15-33(27-34)41(30)32;1-2-10-30-25-32(22-19-27(30)9-1)31-12-7-13-33(26-31)41-35-14-3-5-16-37(35)42(38-17-6-4-15-36(38)41)39-24-23-29-21-20-28-11-8-18-34(39)40(28)29;1-2-10-29-23-34(21-19-27(29)9-1)42-38-17-5-3-15-36(38)41(37-16-4-6-18-39(37)42)32-14-8-12-30(24-32)35-25-31-13-7-11-28-20-22-33(26-35)40(28)31;1-2-9-31-24-34(22-18-27(31)8-1)42-38-14-5-3-12-36(38)41(37-13-4-6-15-39(37)42)30-19-16-28(17-20-30)35-25-32-11-7-10-29-21-23-33(26-35)40(29)32/h1-30,49-50H;1-7,9-12,14,16-27H,8,13,15H2;1-19,22-26H,20-21H2;1-19,21,23-26H,20,22H2;1-20,22,24-26H,21,23H2
InChIKeyFXVNWRZDRTUWOM-UHFFFAOYSA-N
XLogP59.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms219
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002777.58
LogP ≤ 559.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene?
The IUPAC name of 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene (CID 158174489) is 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene.
What is the SMILES notation for 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene?
The canonical SMILES for 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene is c1cc(-c2cc3c4c(cccc4c2)CC3)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)CC4)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6c7c(cccc7c5)CCC6)cc4)c4ccccc34)cccc2c1.c1ccc2c(c1)C1c3ccccc3C2c2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc21.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6c7c(cccc7c5)CC6)cc4)c4ccccc34)ccc2c1.
What is the InChIKey of 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene?
The InChIKey is FXVNWRZDRTUWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.C43H30.3C42H28/c1-2-14-35-31(12-1)13-11-23-36(35)32-24-26-33(27-25-32)47-37-15-3-5-17-39(37)48(40-18-6-4-16-38(40)47)34-28-29-45-46(30-34)50-43-21-9-7-19-41(43)49(45)42-20-8-10-22-44(42)50;1-2-16-35-29(10-1)11-9-21-36(35)43-39-19-5-3-17-37(39)42(38-18-4-6-20-40(38)43)31-24-22-28(23-25-31)34-26-32-14-7-12-30-13-8-15-33(27-34)41(30)32;1-2-10-30-25-32(22-19-27(30)9-1)31-12-7-13-33(26-31)41-35-14-3-5-16-37(35)42(38-17-6-4-15-36(38)41)39-24-23-29-21-20-28-11-8-18-34(39)40(28)29;1-2-10-29-23-34(21-19-27(29)9-1)42-38-17-5-3-15-36(38)41(37-16-4-6-18-39(37)42)32-14-8-12-30(24-32)35-25-31-13-7-11-28-20-22-33(26-35)40(28)31;1-2-9-31-24-34(22-18-27(31)8-1)42-38-14-5-3-12-36(38)41(37-13-4-6-15-39(37)42)30-19-16-28(17-20-30)35-25-32-11-7-10-29-21-23-33(26-35)40(29)32/h1-30,49-50H;1-7,9-12,14,16-27H,8,13,15H2;1-19,22-26H,20-21H2;1-19,21,23-26H,20,22H2;1-20,22,24-26H,21,23H2.
What are the key properties of 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene?
9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene has a molecular weight of 2777.58 g/mol, XLogP of 59.12, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2-dihydroacenaphthylen-5-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;9-[3-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(1,2-dihydroacenaphthylen-4-yl)phenyl]-10-naphthalen-2-ylanthracene;9-[4-(5,6-dihydro-4H-phenalen-2-yl)phenyl]-10-naphthalen-1-ylanthracene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene is sourced from PubChem (CID 158174489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).