1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine

C110H80N6 — CID 158533996

About 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine

1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 158533996) has the molecular formula C110H80N6 and a molecular weight of 1485.89 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

• Compound Name: 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine
• PubChem CID: 158533996
• Molecular Formula: C110H80N6
• Molecular Weight: 1485.89 g/mol
• Exact Mass: 1484.64
• IUPAC Name: 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine
• SMILES: C1=CCC(c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc4ccccc4c3)n2)C=C1.C=Cc1cc2ccccc2cc1C=C.C=Cc1ccccc1C=C.c1cncc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c4)n3)cc2)c1
• InChI: InChI=1S/C55H35N3.C31H23N3.C14H12.C10H10/c1-3-13-40-31-42(28-24-36(40)11-1)52-34-51(39-26-22-38(23-27-39)46-17-10-30-56-35-46)57-55(58-52)45-16-9-15-43(33-45)53-47-18-5-7-20-49(47)54(50-21-8-6-19-48(50)53)44-29-25-37-12-2-4-14-41(37)32-44;1-2-8-25(9-3-1)31-33-29(24-15-12-23(13-16-24)28-11-6-18-32-21-28)20-30(34-31)27-17-14-22-7-4-5-10-26(22)19-27;1-3-11-9-13-7-5-6-8-14(13)10-12(11)4-2;1-3-9-7-5-6-8-10(9)4-2/h1-35H;1-8,10-21,25H,9H2;3-10H,1-2H2;3-8H,1-2H2
• InChIKey: HNSJPVHESWCIEM-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1485.89
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine?

The IUPAC name of 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 158533996) is 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine.

What is the SMILES notation for 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine?

The canonical SMILES for 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine is C1=CCC(c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3ccc4ccccc4c3)n2)C=C1.C=Cc1cc2ccccc2cc1C=C.C=Cc1ccccc1C=C.c1cncc(-c2ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4cccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)c4)n3)cc2)c1.

What is the InChIKey of 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine?

The InChIKey is HNSJPVHESWCIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3.C31H23N3.C14H12.C10H10/c1-3-13-40-31-42(28-24-36(40)11-1)52-34-51(39-26-22-38(23-27-39)46-17-10-30-56-35-46)57-55(58-52)45-16-9-15-43(33-45)53-47-18-5-7-20-49(47)54(50-21-8-6-19-48(50)53)44-29-25-37-12-2-4-14-41(37)32-44;1-2-8-25(9-3-1)31-33-29(24-15-12-23(13-16-24)28-11-6-18-32-21-28)20-30(34-31)27-17-14-22-7-4-5-10-26(22)19-27;1-3-11-9-13-7-5-6-8-14(13)10-12(11)4-2;1-3-9-7-5-6-8-10(9)4-2/h1-35H;1-8,10-21,25H,9H2;3-10H,1-2H2;3-8H,1-2H2.

What are the key properties of 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine?

1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1485.89 g/mol, XLogP of 29.21, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-bis(ethenyl)benzene;2,3-bis(ethenyl)naphthalene;2-cyclohexa-2,4-dien-1-yl-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-naphthalen-2-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 158533996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).