9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene

C109H72N14 — CID 160660087

About 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene

9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene (PubChem CID 160660087) has the molecular formula C109H72N14 and a molecular weight of 1577.87 g/mol. Its IUPAC name is 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene.

Molecular Properties

• Compound Name: 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene
• PubChem CID: 160660087
• Molecular Formula: C109H72N14
• Molecular Weight: 1577.87 g/mol
• Exact Mass: 1576.61
• IUPAC Name: 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5ccccc45)c4ccccc34)cc21.c1ccc(-c2ccc(-c3c4ccc(N(c5ncncn5)c5ncncn5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ncncn5)c5ncncn5)cc34)cc2)cc1
• InChI: InChI=1S/C59H40.C50H32N14/c1-59(2)53-31-17-16-22-41(53)42-33-32-38(36-54(42)59)56-45-25-10-14-29-49(45)58(50-30-15-11-26-46(50)56)52-35-34-51(39-20-6-7-21-40(39)52)57-47-27-12-8-23-43(47)55(37-18-4-3-5-19-37)44-24-9-13-28-48(44)57;1-3-7-33(8-4-1)35-11-15-37(16-12-35)45-41-21-19-40(64(49-59-29-53-30-60-49)50-61-31-54-32-62-50)24-44(41)46(38-17-13-36(14-18-38)34-9-5-2-6-10-34)42-22-20-39(23-43(42)45)63(47-55-25-51-26-56-47)48-57-27-52-28-58-48/h3-36H,1-2H3;1-32H
• InChIKey: RLOCFUMYKHLCKU-UHFFFAOYSA-N
• XLogP: 26.77
• TPSA: 161.16 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.87
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene?

The IUPAC name of 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene (CID 160660087) is 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene.

What is the SMILES notation for 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene?

The canonical SMILES for 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c5ccccc45)c4ccccc34)cc21.c1ccc(-c2ccc(-c3c4ccc(N(c5ncncn5)c5ncncn5)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(N(c5ncncn5)c5ncncn5)cc34)cc2)cc1.

What is the InChIKey of 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene?

The InChIKey is RLOCFUMYKHLCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40.C50H32N14/c1-59(2)53-31-17-16-22-41(53)42-33-32-38(36-54(42)59)56-45-25-10-14-29-49(45)58(50-30-15-11-26-46(50)56)52-35-34-51(39-20-6-7-21-40(39)52)57-47-27-12-8-23-43(47)55(37-18-4-3-5-19-37)44-24-9-13-28-48(44)57;1-3-7-33(8-4-1)35-11-15-37(16-12-35)45-41-21-19-40(64(49-59-29-53-30-60-49)50-61-31-54-32-62-50)24-44(41)46(38-17-13-36(14-18-38)34-9-5-2-6-10-34)42-22-20-39(23-43(42)45)63(47-55-25-51-26-56-47)48-57-27-52-28-58-48/h3-36H,1-2H3;1-32H.

What are the key properties of 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene?

9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene has a molecular weight of 1577.87 g/mol, XLogP of 26.77, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]anthracene is sourced from PubChem (CID 160660087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).