anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine

C224H170BN7 — CID 167632805

IUPACanthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine
SMILESC1=Cc2ccccc2C1.b1ccccn1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1cncnc1.c1ncncn1
InChIInChI=1S/C30H22.C24H18.C22H14.2C18H12.C18H14.2C14H10.C13H10.C12H10.C10H8.C9H8.C6H6.C5H5N.C4H4BN.C4H4N2.C3H3N3/c1-3-10-23(11-4-1)25-14-7-16-27(20-25)29-18-9-19-30(22-29)28-17-8-15-26(21-28)24-12-5-2-6-13-24;1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20;1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1/h1-22H;1-18H;1-14H;2*1-12H;1-14H;2*1-10H;1-8H,9H2;1-10H;1-8H;1-6H,7H2;1-6H;1-5H;2*1-4H;1-3H
InChIKeyOAXCSTHAERJYNS-UHFFFAOYSA-N
MW2970.68 g/mol
LogP59.88
Rot. Bonds10

About anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine

anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine (PubChem CID 167632805) has the molecular formula C224H170BN7 and a molecular weight of 2970.68 g/mol. Its IUPAC name is anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine.

Molecular Properties

Compound Nameanthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine
PubChem CID167632805
Molecular FormulaC224H170BN7
Molecular Weight2970.68 g/mol
Exact Mass2968.36
IUPAC Nameanthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine
SMILESC1=Cc2ccccc2C1.b1ccccn1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1cncnc1.c1ncncn1
InChIInChI=1S/C30H22.C24H18.C22H14.2C18H12.C18H14.2C14H10.C13H10.C12H10.C10H8.C9H8.C6H6.C5H5N.C4H4BN.C4H4N2.C3H3N3/c1-3-10-23(11-4-1)25-14-7-16-27(20-25)29-18-9-19-30(22-29)28-17-8-15-26(21-28)24-12-5-2-6-13-24;1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20;1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1/h1-22H;1-18H;1-14H;2*1-12H;1-14H;2*1-10H;1-8H,9H2;1-10H;1-8H;1-6H,7H2;1-6H;1-5H;2*1-4H;1-3H
InChIKeyOAXCSTHAERJYNS-UHFFFAOYSA-N
XLogP59.88
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms232
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002970.68
LogP ≤ 559.88
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 anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine with MolForge

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Related Compounds

anthracene;1,3-diphenylbenzene;bis(9H-fluorene);methane;naphthalene;phenanthrene;triphenylene;1,4-xylene
CID 159089276
11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 160875333
1-(3-anthracen-2-ylphenyl)-7-(1H-inden-5-yl)anthracene
CID 144959897
anthracene;9,10-dihydrophenanthrene;1,5-dihydro-s-indacene;1,2,3,5,6,7-hexahydro-s-indacene;phenanthrene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 159221292
azulene;1H-indene
CID 160524105
benzene;9H-fluorene;naphthalene;pyridine
CID 158705225
1,4-diphenylbenzene;1H-indene
CID 156634731
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;anthracene;benzene;cycloheptane;cyclohexane;cyclopentane;9H-fluorene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 158210787
2-(1H-inden-5-yl)-9H-fluorene
CID 145186106
4-(9H-fluoren-3-yl)-6-(3-phenylphenyl)dibenzothiophene
CID 157122578
7-(4-phenylphenyl)hexacyclo[12.11.0.02,11.05,10.016,24.018,23]pentacosa-1(25),2(11),3,5(10),6,8,12,14,16(24),18,20,22-dodecaene
CID 123892703
2,4-di(phenanthren-1-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598281

Frequently Asked Questions

What is the IUPAC name of anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine?
The IUPAC name of anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine (CID 167632805) is anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine.
What is the SMILES notation for anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine?
The canonical SMILES for anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine is C1=Cc2ccccc2C1.b1ccccn1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)ccc1c3ccccc3ccc21.c1ccc2c(c1)ccc1ccccc12.c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.c1ccc2cc3cc4ccccc4cc3cc2c1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccncc1.c1cncnc1.c1ncncn1.
What is the InChIKey of anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine?
The InChIKey is OAXCSTHAERJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22.C24H18.C22H14.2C18H12.C18H14.2C14H10.C13H10.C12H10.C10H8.C9H8.C6H6.C5H5N.C4H4BN.C4H4N2.C3H3N3/c1-3-10-23(11-4-1)25-14-7-16-27(20-25)29-18-9-19-30(22-29)28-17-8-15-26(21-28)24-12-5-2-6-13-24;1-3-9-19(10-4-1)21-13-7-15-23(17-21)24-16-8-14-22(18-24)20-11-5-2-6-12-20;1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1;1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;3*1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-4-2-6-3-5-1/h1-22H;1-18H;1-14H;2*1-12H;1-14H;2*1-10H;1-8H,9H2;1-10H;1-8H;1-6H,7H2;1-6H;1-5H;2*1-4H;1-3H.
What are the key properties of anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine?
anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine has a molecular weight of 2970.68 g/mol, XLogP of 59.88, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;azaborinine;benzene;1,1'-biphenyl;1,3-bis(3-phenylphenyl)benzene;chrysene;1,3-diphenylbenzene;9H-fluorene;1H-indene;naphthalene;pentacene;phenanthrene;1-phenyl-3-(3-phenylphenyl)benzene;pyridine;pyrimidine;tetracene;1,3,5-triazine is sourced from PubChem (CID 167632805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).