8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine

C116H77N7 — CID 158466845

IUPAC8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESC1=CC2C(c3cc(-c4ccccc4)nc(-c4cccc(-c5c6ccccc6c(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c6ccccc56)c4)n3)=CC3=C(C=CCC3)C2C=C1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4nc(-c5ccc(-c6cccnc6)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)c3)c3ccccc23)cc1
InChIInChI=1S/C61H42N4.C55H35N3/c1-3-16-39(17-4-1)55-37-56(52-35-40-18-7-8-23-45(40)46-24-9-10-25-47(46)52)64-61(63-55)43-20-15-19-41(34-43)59-48-26-11-13-28-50(48)60(51-29-14-12-27-49(51)59)42-30-31-57-53(36-42)54-38-62-33-32-58(54)65(57)44-21-5-2-6-22-44;1-2-14-38(15-3-1)53-46-23-8-10-25-48(46)54(49-26-11-9-24-47(49)53)40-17-12-18-41(32-40)55-57-51(37-29-27-36(28-30-37)42-19-13-31-56-35-42)34-52(58-55)50-33-39-16-4-5-20-43(39)44-21-6-7-22-45(44)50/h1-6,8-17,19-38,46-47H,7,18H2;1-35H
InChIKeyHFVYQVWPOIKFDV-UHFFFAOYSA-N
MW1568.94 g/mol
LogP29.83
Rot. Bonds12

About 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine

8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 158466845) has the molecular formula C116H77N7 and a molecular weight of 1568.94 g/mol. Its IUPAC name is 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID158466845
Molecular FormulaC116H77N7
Molecular Weight1568.94 g/mol
Exact Mass1567.62
IUPAC Name8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine
SMILESC1=CC2C(c3cc(-c4ccccc4)nc(-c4cccc(-c5c6ccccc6c(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c6ccccc56)c4)n3)=CC3=C(C=CCC3)C2C=C1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4nc(-c5ccc(-c6cccnc6)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)c3)c3ccccc23)cc1
InChIInChI=1S/C61H42N4.C55H35N3/c1-3-16-39(17-4-1)55-37-56(52-35-40-18-7-8-23-45(40)46-24-9-10-25-47(46)52)64-61(63-55)43-20-15-19-41(34-43)59-48-26-11-13-28-50(48)60(51-29-14-12-27-49(51)59)42-30-31-57-53(36-42)54-38-62-33-32-58(54)65(57)44-21-5-2-6-22-44;1-2-14-38(15-3-1)53-46-23-8-10-25-48(46)54(49-26-11-9-24-47(49)53)40-17-12-18-41(32-40)55-57-51(37-29-27-36(28-30-37)42-19-13-31-56-35-42)34-52(58-55)50-33-39-16-4-5-20-43(39)44-21-6-7-22-45(44)50/h1-6,8-17,19-38,46-47H,7,18H2;1-35H
InChIKeyHFVYQVWPOIKFDV-UHFFFAOYSA-N
XLogP29.83
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001568.94
LogP ≤ 529.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine with MolForge

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Related Compounds

5-phenyl-8-[10-[3-(4-phenyl-6-pyridin-3-ylpyrimidin-2-yl)phenyl]anthracen-9-yl]pyrido[4,3-b]indole
CID 118968783
8-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole;5-phenyl-8-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 161187097
5-phenyl-8-[3-[4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-2-yl]phenyl]pyrido[4,3-b]indole
CID 118968780
5-phenyl-8-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 118604238
8-[4-[6-naphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole;5-(4-phenylphenyl)-8-[4-[6-phenyl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
CID 158697190
8-[4-[6-naphthalen-2-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]pyrimidin-4-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 118968771
5-phenyl-8-[3-[6-phenyl-2-(3-triphenylen-2-ylphenyl)pyrimidin-4-yl]phenyl]pyrido[4,3-b]indole
CID 118968813
5-phenyl-8-[6-phenyl-2-[6-(10-phenylanthracen-9-yl)-2-pyridinyl]pyrimidin-4-yl]pyrido[4,3-b]indole
CID 118968748
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
8-(9,10-dinaphthalen-1-ylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole;8-(9,10-diphenylanthracen-2-yl)-5-(4-phenylphenyl)pyrido[4,3-b]indole;8-(9-naphthalen-1-yl-10-phenanthren-9-ylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 158322958
9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole
CID 163562263
2,4-diphenyl-6-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)-1,3,5-triazine;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-5-pyridin-3-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;9-[4-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 161347149

Frequently Asked Questions

What is the IUPAC name of 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine (CID 158466845) is 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine is C1=CC2C(c3cc(-c4ccccc4)nc(-c4cccc(-c5c6ccccc6c(-c6ccc7c(c6)c6cnccc6n7-c6ccccc6)c6ccccc56)c4)n3)=CC3=C(C=CCC3)C2C=C1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4nc(-c5ccc(-c6cccnc6)cc5)cc(-c5cc6ccccc6c6ccccc56)n4)c3)c3ccccc23)cc1.
What is the InChIKey of 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is HFVYQVWPOIKFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4.C55H35N3/c1-3-16-39(17-4-1)55-37-56(52-35-40-18-7-8-23-45(40)46-24-9-10-25-47(46)52)64-61(63-55)43-20-15-19-41(34-43)59-48-26-11-13-28-50(48)60(51-29-14-12-27-49(51)59)42-30-31-57-53(36-42)54-38-62-33-32-58(54)65(57)44-21-5-2-6-22-44;1-2-14-38(15-3-1)53-46-23-8-10-25-48(46)54(49-26-11-9-24-47(49)53)40-17-12-18-41(32-40)55-57-51(37-29-27-36(28-30-37)42-19-13-31-56-35-42)34-52(58-55)50-33-39-16-4-5-20-43(39)44-21-6-7-22-45(44)50/h1-6,8-17,19-38,46-47H,7,18H2;1-35H.
What are the key properties of 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine?
8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1568.94 g/mol, XLogP of 29.83, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-[3-[4-(1,2,4b,8a-tetrahydrophenanthren-9-yl)-6-phenylpyrimidin-2-yl]phenyl]anthracen-9-yl]-5-phenylpyrido[4,3-b]indole;4-phenanthren-9-yl-2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 158466845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).