3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine

C153H100N10 — CID 157389008

IUPAC3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C53H34N4.C53H35N3.C47H31N3/c1-4-15-35(16-5-1)41-23-14-24-45-51(41)44-32-29-39(33-48(44)54-52(45)37-17-6-2-7-18-37)47-34-46(55-53(56-47)38-19-8-3-9-20-38)36-27-30-40(31-28-36)57-49-25-12-10-21-42(49)43-22-11-13-26-50(43)57;1-5-16-36(17-6-1)40-24-13-26-42(32-40)48-35-49(56-53(55-48)44-27-14-25-41(33-44)37-18-7-2-8-19-37)43-30-31-46-50(34-43)54-52(39-22-11-4-12-23-39)47-29-15-28-45(51(46)47)38-20-9-3-10-21-38;1-5-15-32(16-6-1)36-23-13-24-38(29-36)47-49-42(34-19-9-3-10-20-34)31-43(50-47)37-27-28-40-44(30-37)48-46(35-21-11-4-12-22-35)41-26-14-25-39(45(40)41)33-17-7-2-8-18-33/h1-34H;1-35H;1-31H
InChIKeyBLTRYPWPFJJMQS-UHFFFAOYSA-N
MW2078.55 g/mol
LogP39.64
Rot. Bonds19

About 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine

3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine (PubChem CID 157389008) has the molecular formula C153H100N10 and a molecular weight of 2078.55 g/mol. Its IUPAC name is 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine.

Molecular Properties

Compound Name3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine
PubChem CID157389008
Molecular FormulaC153H100N10
Molecular Weight2078.55 g/mol
Exact Mass2076.81
IUPAC Name3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C53H34N4.C53H35N3.C47H31N3/c1-4-15-35(16-5-1)41-23-14-24-45-51(41)44-32-29-39(33-48(44)54-52(45)37-17-6-2-7-18-37)47-34-46(55-53(56-47)38-19-8-3-9-20-38)36-27-30-40(31-28-36)57-49-25-12-10-21-42(49)43-22-11-13-26-50(43)57;1-5-16-36(17-6-1)40-24-13-26-42(32-40)48-35-49(56-53(55-48)44-27-14-25-41(33-44)37-18-7-2-8-19-37)43-30-31-46-50(34-43)54-52(39-22-11-4-12-23-39)47-29-15-28-45(51(46)47)38-20-9-3-10-21-38;1-5-15-32(16-6-1)36-23-13-24-38(29-36)47-49-42(34-19-9-3-10-20-34)31-43(50-47)37-27-28-40-44(30-37)48-46(35-21-11-4-12-22-35)41-26-14-25-39(45(40)41)33-17-7-2-8-18-33/h1-34H;1-35H;1-31H
InChIKeyBLTRYPWPFJJMQS-UHFFFAOYSA-N
XLogP39.64
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms163
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002078.55
LogP ≤ 539.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine with MolForge

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Related Compounds

3-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;3-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 158712117
3-[3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548563
10-[4-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146549877
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
14-[4-[4-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;14-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene;9-phenyl-14-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 157319592
2-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366734
3-[5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]triphenylen-2-yl]-9-(4-phenylphenyl)carbazole
CID 139366763
2-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146549083
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
17-[4-[6-(3-dibenzofuran-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-10,21-diphenyl-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 166584667

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine?
The IUPAC name of 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine (CID 157389008) is 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine.
What is the SMILES notation for 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine?
The canonical SMILES for 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine is c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(c4)nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc4c(c3)nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine?
The InChIKey is BLTRYPWPFJJMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4.C53H35N3.C47H31N3/c1-4-15-35(16-5-1)41-23-14-24-45-51(41)44-32-29-39(33-48(44)54-52(45)37-17-6-2-7-18-37)47-34-46(55-53(56-47)38-19-8-3-9-20-38)36-27-30-40(31-28-36)57-49-25-12-10-21-42(49)43-22-11-13-26-50(43)57;1-5-16-36(17-6-1)40-24-13-26-42(32-40)48-35-49(56-53(55-48)44-27-14-25-41(33-44)37-18-7-2-8-19-37)43-30-31-46-50(34-43)54-52(39-22-11-4-12-23-39)47-29-15-28-45(51(46)47)38-20-9-3-10-21-38;1-5-15-32(16-6-1)36-23-13-24-38(29-36)47-49-42(34-19-9-3-10-20-34)31-43(50-47)37-27-28-40-44(30-37)48-46(35-21-11-4-12-22-35)41-26-14-25-39(45(40)41)33-17-7-2-8-18-33/h1-34H;1-35H;1-31H.
What are the key properties of 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine?
3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine has a molecular weight of 2078.55 g/mol, XLogP of 39.64, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-6,10-diphenylphenanthridine;3-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-6,10-diphenylphenanthridine;6,10-diphenyl-3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenanthridine is sourced from PubChem (CID 157389008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).