2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile

C192H134N2 — CID 158214245

About 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile

2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile (PubChem CID 158214245) has the molecular formula C192H134N2 and a molecular weight of 2469.20 g/mol. Its IUPAC name is 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile.

Molecular Properties

• Compound Name: 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
• PubChem CID: 158214245
• Molecular Formula: C192H134N2
• Molecular Weight: 2469.20 g/mol
• Exact Mass: 2467.05
• IUPAC Name: 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
• SMILES: CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3ccccc3)c2c1.CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccccc3)c2c1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12.[C-]#[N+]c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)c2ccccc12.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C42H28.C41H25N.C40H32.C35H21N.C34H28/c1-3-14-29(15-4-1)32-26-27-39(40(28-32)31-16-5-2-6-17-31)42-37-23-11-9-21-35(37)41(36-22-10-12-24-38(36)42)34-25-13-19-30-18-7-8-20-33(30)34;1-42-39-25-24-38(32-12-4-5-13-33(32)39)41-36-16-8-6-14-34(36)40(35-15-7-9-17-37(35)41)29-21-18-28(19-22-29)31-23-20-27-10-2-3-11-30(27)26-31;1-40(2,3)29-22-23-36-37(26-29)38(28-16-8-5-9-17-28)33-20-12-13-21-34(33)39(36)35-25-24-30(27-14-6-4-7-15-27)31-18-10-11-19-32(31)35;36-22-26-19-20-33(28-12-4-3-11-27(26)28)35-31-15-7-5-13-29(31)34(30-14-6-8-16-32(30)35)25-18-17-23-9-1-2-10-24(23)21-25;1-34(2,3)27-19-20-30-31(22-27)32(24-12-5-4-6-13-24)28-15-9-10-16-29(28)33(30)26-18-17-23-11-7-8-14-25(23)21-26/h1-28H;2-26H;4-26H,1-3H3;1-21H;4-22H,1-3H3
• InChIKey: GCLGWILKPOUIPD-UHFFFAOYSA-N
• XLogP: 54.39
• TPSA: 28.15 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2469.20
LogP ≤ 5	54.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile?

The IUPAC name of 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile (CID 158214245) is 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile.

What is the SMILES notation for 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile?

The canonical SMILES for 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile is CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc3c(-c3ccccc3)c2c1.CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccccc3)c2c1.N#Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12.[C-]#[N+]c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)c2ccccc12.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile?

The InChIKey is GCLGWILKPOUIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28.C41H25N.C40H32.C35H21N.C34H28/c1-3-14-29(15-4-1)32-26-27-39(40(28-32)31-16-5-2-6-17-31)42-37-23-11-9-21-35(37)41(36-22-10-12-24-38(36)42)34-25-13-19-30-18-7-8-20-33(30)34;1-42-39-25-24-38(32-12-4-5-13-33(32)39)41-36-16-8-6-14-34(36)40(35-15-7-9-17-37(35)41)29-21-18-28(19-22-29)31-23-20-27-10-2-3-11-30(27)26-31;1-40(2,3)29-22-23-36-37(26-29)38(28-16-8-5-9-17-28)33-20-12-13-21-34(33)39(36)35-25-24-30(27-14-6-4-7-15-27)31-18-10-11-19-32(31)35;36-22-26-19-20-33(28-12-4-3-11-27(26)28)35-31-15-7-5-13-29(31)34(30-14-6-8-16-32(30)35)25-18-17-23-9-1-2-10-24(23)21-25;1-34(2,3)27-19-20-30-31(22-27)32(24-12-5-4-6-13-24)28-15-9-10-16-29(28)33(30)26-18-17-23-11-7-8-14-25(23)21-26/h1-28H;2-26H;4-26H,1-3H3;1-21H;4-22H,1-3H3.

What are the key properties of 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile?

2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile has a molecular weight of 2469.20 g/mol, XLogP of 54.39, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-tert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(2,4-diphenylphenyl)-10-naphthalen-1-ylanthracene;9-(4-isocyanonaphthalen-1-yl)-10-(4-naphthalen-2-ylphenyl)anthracene;4-(10-naphthalen-2-ylanthracen-9-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 158214245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).