3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene

C162H104N2 — CID 160576501

About 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene

3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene (PubChem CID 160576501) has the molecular formula C162H104N2 and a molecular weight of 2078.63 g/mol. Its IUPAC name is 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene.

Molecular Properties

• Compound Name: 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
• PubChem CID: 160576501
• Molecular Formula: C162H104N2
• Molecular Weight: 2078.63 g/mol
• Exact Mass: 2076.82
• IUPAC Name: 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
• SMILES: c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5cccc6ccccc56)ccc4c(-c4ccccc4)c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(-c6cccc7ccccc67)c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c(-c6cccc7ccccc67)c5c4)ccc32)cc1
• InChI: InChI=1S/C70H44N2.C50H32.C42H28/c1-3-21-51(22-4-1)71-65-31-13-11-27-55(65)61-41-49(35-39-67(61)71)47-33-37-59-63(43-47)69(57-29-15-19-45-17-7-9-25-53(45)57)60-38-34-48(44-64(60)70(59)58-30-16-20-46-18-8-10-26-54(46)58)50-36-40-68-62(42-50)56-28-12-14-32-66(56)72(68)52-23-5-2-6-24-52;1-2-13-33(14-3-1)37-27-29-45-47(31-37)49(43-25-11-19-35-16-5-8-22-40(35)43)46-30-28-38(42-24-10-18-34-15-4-7-21-39(34)42)32-48(46)50(45)44-26-12-20-36-17-6-9-23-41(36)44;1-4-13-29(14-5-1)33-23-25-37-39(27-33)41(31-16-6-2-7-17-31)38-26-24-34(28-40(38)42(37)32-18-8-3-9-19-32)36-22-12-20-30-15-10-11-21-35(30)36/h1-44H;1-32H;1-28H
• InChIKey: RBFJZYJSDCBWMA-UHFFFAOYSA-N
• XLogP: 45.10
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2078.63
LogP ≤ 5	45.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene?

The IUPAC name of 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene (CID 160576501) is 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene.

What is the SMILES notation for 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene?

The canonical SMILES for 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene is c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc4c(-c4cccc5ccccc45)c3c2)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c4cc(-c5cccc6ccccc56)ccc4c(-c4ccccc4)c3c2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(-c6cccc7ccccc67)c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc6c(-c6cccc7ccccc67)c5c4)ccc32)cc1.

What is the InChIKey of 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene?

The InChIKey is RBFJZYJSDCBWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2.C50H32.C42H28/c1-3-21-51(22-4-1)71-65-31-13-11-27-55(65)61-41-49(35-39-67(61)71)47-33-37-59-63(43-47)69(57-29-15-19-45-17-7-9-25-53(45)57)60-38-34-48(44-64(60)70(59)58-30-16-20-46-18-8-10-26-54(46)58)50-36-40-68-62(42-50)56-28-12-14-32-66(56)72(68)52-23-5-2-6-24-52;1-2-13-33(14-3-1)37-27-29-45-47(31-37)49(43-25-11-19-35-16-5-8-22-40(35)43)46-30-28-38(42-24-10-18-34-15-4-7-21-39(34)42)32-48(46)50(45)44-26-12-20-36-17-6-9-23-41(36)44;1-4-13-29(14-5-1)33-23-25-37-39(27-33)41(31-16-6-2-7-17-31)38-26-24-34(28-40(38)42(37)32-18-8-3-9-19-32)36-22-12-20-30-15-10-11-21-35(30)36/h1-44H;1-32H;1-28H.

What are the key properties of 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene?

3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene has a molecular weight of 2078.63 g/mol, XLogP of 45.10, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene is sourced from PubChem (CID 160576501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).