ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine

C85H64N4 — CID 145210787

IUPACethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine
SMILESC/C=C\C(=C/CC)c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)cc3)nc(-c3ccccc3)n2)cc1.CC.c1ccc(-c2ccc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)cn2)nc1
InChIInChI=1S/C51H38N2.C32H20N2.C2H6/c1-3-11-34(12-4-2)35-23-27-39(28-24-35)48-33-49(53-51(52-48)41-13-6-5-7-14-41)40-29-25-37(26-30-40)36-19-21-38(22-20-36)43-31-42-15-10-18-46-44-16-8-9-17-45(44)47(32-43)50(42)46;1-2-8-27-26(7-1)28-9-5-6-23-18-25(19-29(27)32(23)28)22-13-11-21(12-14-22)24-15-16-31(34-20-24)30-10-3-4-17-33-30;1-2/h3,5-33H,4H2,1-2H3;1-20H;1-2H3/b11-3-,34-12+;;
InChIKeyWDEYROLPNAHDPW-XNYFKTBASA-N
MW1141.47 g/mol
LogP23.29
Rot. Bonds11

About ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine

ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine (PubChem CID 145210787) has the molecular formula C85H64N4 and a molecular weight of 1141.47 g/mol. Its IUPAC name is ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Nameethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine
PubChem CID145210787
Molecular FormulaC85H64N4
Molecular Weight1141.47 g/mol
Exact Mass1140.51
IUPAC Nameethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine
SMILESC/C=C\C(=C/CC)c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)cc3)nc(-c3ccccc3)n2)cc1.CC.c1ccc(-c2ccc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)cn2)nc1
InChIInChI=1S/C51H38N2.C32H20N2.C2H6/c1-3-11-34(12-4-2)35-23-27-39(28-24-35)48-33-49(53-51(52-48)41-13-6-5-7-14-41)40-29-25-37(26-30-40)36-19-21-38(22-20-36)43-31-42-15-10-18-46-44-16-8-9-17-45(44)47(32-43)50(42)46;1-2-8-27-26(7-1)28-9-5-6-23-18-25(19-29(27)32(23)28)22-13-11-21(12-14-22)24-15-16-31(34-20-24)30-10-3-4-17-33-30;1-2/h3,5-33H,4H2,1-2H3;1-20H;1-2H3/b11-3-,34-12+;;
InChIKeyWDEYROLPNAHDPW-XNYFKTBASA-N
XLogP23.29
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.47
LogP ≤ 523.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine with MolForge

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Related Compounds

4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
2,4-diphenyl-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyrimidine
CID 167549240
4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 130295102
2-[2-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;2-[3-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;2-(4-fluoranthen-2-ylphenyl)-5-phenylpyridine;4-[3-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]pyridine;5-(4-fluoranthen-2-ylphenyl)-2-phenylpyridine
CID 158843363
2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
CID 130295035
ethane;2-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;propane
CID 145452765
4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 130295196
2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
CID 130295192
4,6-diphenyl-2-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 164817160

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine?
The IUPAC name of ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine (CID 145210787) is ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine.
What is the SMILES notation for ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine?
The canonical SMILES for ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine is C/C=C\C(=C/CC)c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cc6c7c(cccc7c5)-c5ccccc5-6)cc4)cc3)nc(-c3ccccc3)n2)cc1.CC.c1ccc(-c2ccc(-c3ccc(-c4cc5c6c(cccc6c4)-c4ccccc4-5)cc3)cn2)nc1.
What is the InChIKey of ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine?
The InChIKey is WDEYROLPNAHDPW-XNYFKTBASA-N. The full InChI is InChI=1S/C51H38N2.C32H20N2.C2H6/c1-3-11-34(12-4-2)35-23-27-39(28-24-35)48-33-49(53-51(52-48)41-13-6-5-7-14-41)40-29-25-37(26-30-40)36-19-21-38(22-20-36)43-31-42-15-10-18-46-44-16-8-9-17-45(44)47(32-43)50(42)46;1-2-8-27-26(7-1)28-9-5-6-23-18-25(19-29(27)32(23)28)22-13-11-21(12-14-22)24-15-16-31(34-20-24)30-10-3-4-17-33-30;1-2/h3,5-33H,4H2,1-2H3;1-20H;1-2H3/b11-3-,34-12+;;.
What are the key properties of ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine?
ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine has a molecular weight of 1141.47 g/mol, XLogP of 23.29, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-6-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2-phenylpyrimidine;5-(4-fluoranthen-2-ylphenyl)-2-pyridin-2-ylpyridine is sourced from PubChem (CID 145210787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).