2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine

C120H77N7OS — CID 157240200

IUPAC2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc4)cccc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)cccc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7s6)cc5)cc4)cccc23)cc1
InChIInChI=1S/C44H29N3.C38H24N2O.C38H24N2S/c1-3-12-33(13-4-1)43-38-18-11-17-36(42(38)37-16-7-8-19-39(37)45-43)32-26-22-30(23-27-32)31-24-28-34(29-25-31)44-46-40-20-9-10-21-41(40)47(44)35-14-5-2-6-15-35;2*1-2-9-28(10-3-1)37-32-13-8-12-30(36(32)31-11-4-5-14-33(31)39-37)27-21-17-25(18-22-27)26-19-23-29(24-20-26)38-40-34-15-6-7-16-35(34)41-38/h1-29H;2*1-24H
InChIKeyAVCSRDFKMLPKJN-UHFFFAOYSA-N
MW1665.05 g/mol
LogP32.26
Rot. Bonds13

About 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine

2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine (PubChem CID 157240200) has the molecular formula C120H77N7OS and a molecular weight of 1665.05 g/mol. Its IUPAC name is 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine.

Molecular Properties

Compound Name2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine
PubChem CID157240200
Molecular FormulaC120H77N7OS
Molecular Weight1665.05 g/mol
Exact Mass1663.59
IUPAC Name2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine
SMILESc1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc4)cccc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)cccc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7s6)cc5)cc4)cccc23)cc1
InChIInChI=1S/C44H29N3.C38H24N2O.C38H24N2S/c1-3-12-33(13-4-1)43-38-18-11-17-36(42(38)37-16-7-8-19-39(37)45-43)32-26-22-30(23-27-32)31-24-28-34(29-25-31)44-46-40-20-9-10-21-41(40)47(44)35-14-5-2-6-15-35;2*1-2-9-28(10-3-1)37-32-13-8-12-30(36(32)31-11-4-5-14-33(31)39-37)27-21-17-25(18-22-27)26-19-23-29(24-20-26)38-40-34-15-6-7-16-35(34)41-38/h1-29H;2*1-24H
InChIKeyAVCSRDFKMLPKJN-UHFFFAOYSA-N
XLogP32.26
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001665.05
LogP ≤ 532.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine with MolForge

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Related Compounds

12,12-Dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 157288939
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
N,N-dimethyl-6-propan-2-yl-1H-benzimidazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzothiazol-2-amine;N,N-dimethyl-6-propan-2-yl-1,3-benzoxazol-2-amine;1,2-dimethyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydroisoquinoline;1-methyl-6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;1-methyl-6-propan-2-yl-1-(trifluoromethyl)-3,4-dihydro-2H-isoquinoline
CID 158593998
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;2-[6-(1,10-phenanthrolin-5-yl)-2-pyridin-3-ylpyrimidin-4-yl]-3-phenylbenzimidazole-5-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 162122198
5-[3-[12-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-phenylphenyl]-2-phenyl-1,3-benzoxazole
CID 166583016
5-[13-[(1Z)-3-fluorobuta-1,3-dienyl]-16-(4-fluorophenyl)-1,15,17,19,38-pentazanonacyclo[17.16.2.12,6.17,11.114,18.020,25.026,37.029,36.030,35]tetraconta-2(40),3,5,7,9,11(39),12,14,16,18(38),20,22,24,26(37),27,29(36),30,32,34-nonadecaen-4-yl]-2-phenyl-1,3-benzoxazole
CID 167309377
5-[3-[12-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-5-cyclohexa-1,3-dien-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 174272167
2-[4-[4-(3-Fluorophenyl)-6-(8-thia-1,21-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,20]tricosa-2,4,6,9,11,13(23),14(22),15,17,19-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176627570
2-[4-(14,21-Diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-11-yl)phenyl]-1,3-benzoxazole
CID 58038065

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine?
The IUPAC name of 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine (CID 157240200) is 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine.
What is the SMILES notation for 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine?
The canonical SMILES for 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine is c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)cc4)cccc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7o6)cc5)cc4)cccc23)cc1.c1ccc(-c2nc3ccccc3c3c(-c4ccc(-c5ccc(-c6nc7ccccc7s6)cc5)cc4)cccc23)cc1.
What is the InChIKey of 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine?
The InChIKey is AVCSRDFKMLPKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3.C38H24N2O.C38H24N2S/c1-3-12-33(13-4-1)43-38-18-11-17-36(42(38)37-16-7-8-19-39(37)45-43)32-26-22-30(23-27-32)31-24-28-34(29-25-31)44-46-40-20-9-10-21-41(40)47(44)35-14-5-2-6-15-35;2*1-2-9-28(10-3-1)37-32-13-8-12-30(36(32)31-11-4-5-14-33(31)39-37)27-21-17-25(18-22-27)26-19-23-29(24-20-26)38-40-34-15-6-7-16-35(34)41-38/h1-29H;2*1-24H.
What are the key properties of 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine?
2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine has a molecular weight of 1665.05 g/mol, XLogP of 32.26, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(6-phenylphenanthridin-10-yl)phenyl]phenyl]-1,3-benzoxazole;6-phenyl-10-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenanthridine is sourced from PubChem (CID 157240200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).