9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene

C229H150N4OS — CID 157145642

About 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene

9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene (PubChem CID 157145642) has the molecular formula C229H150N4OS and a molecular weight of 3005.81 g/mol. Its IUPAC name is 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene.

Molecular Properties

• Compound Name: 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
• PubChem CID: 157145642
• Molecular Formula: C229H150N4OS
• Molecular Weight: 3005.81 g/mol
• Exact Mass: 3003.15
• IUPAC Name: 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene
• SMILES: C1=Cc2c(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)cc3ccccc3c2CC1.CC1(C)c2ccccc2-c2ccc(-c3cccc4c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cccc34)cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12
• InChI: InChI=1S/C45H32.C42H26N4.C40H28.C36H22S.C36H24.C30H18O/c1-45(2)43-20-8-7-15-40(43)41-26-25-32(28-44(41)45)35-17-10-18-37-33(16-9-19-38(35)37)29-21-23-30(24-22-29)42-27-31-11-3-4-12-34(31)36-13-5-6-14-39(36)42;1-3-14-28(15-4-1)39-33-20-9-11-21-35(33)43-42(44-39)46-37-26-23-27-13-7-8-18-30(27)38(37)34-25-24-32-31-19-10-12-22-36(31)45(40(32)41(34)46)29-16-5-2-6-17-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30/h3-28H,1-2H3;1-26H;1-4,6-13,15-26H,5,14H2;1-22H;1-24H;1-18H
• InChIKey: AKRBAPMGJOJMQP-UHFFFAOYSA-N
• XLogP: 63.91
• TPSA: 48.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3005.81
LogP ≤ 5	63.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The IUPAC name of 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene (CID 157145642) is 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene.

What is the SMILES notation for 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The canonical SMILES for 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene is C1=Cc2c(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)cc3ccccc3c2CC1.CC1(C)c2ccccc2-c2ccc(-c3cccc4c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cccc34)cc21.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2sc2ccccc23)c1.c1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1.c1ccc(-c2nc(-n3c4ccc5ccccc5c4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)nc3ccccc23)cc1.c1ccc2c(c1)oc1ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc12.

What is the InChIKey of 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

The InChIKey is AKRBAPMGJOJMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32.C42H26N4.C40H28.C36H22S.C36H24.C30H18O/c1-45(2)43-20-8-7-15-40(43)41-26-25-32(28-44(41)45)35-17-10-18-37-33(16-9-19-38(35)37)29-21-23-30(24-22-29)42-27-31-11-3-4-12-34(31)36-13-5-6-14-39(36)42;1-3-14-28(15-4-1)39-33-20-9-11-21-35(33)43-42(44-39)46-37-26-23-27-13-7-8-18-30(27)38(37)34-25-24-32-31-19-10-12-22-36(31)45(40(32)41(34)46)29-16-5-2-6-17-29;1-2-9-28-22-31(17-16-27(28)8-1)33-21-20-32-23-30(18-19-34(32)24-33)29-11-7-12-35(25-29)40-26-36-10-3-4-13-37(36)38-14-5-6-15-39(38)40;1-2-13-29-27(11-1)28-12-3-4-14-30(28)34-22-24(19-20-31(29)34)23-9-7-10-25(21-23)26-16-8-17-33-32-15-5-6-18-35(32)37-36(26)33;1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30;1-2-9-23-21(7-1)22-8-3-4-10-24(22)27-17-19(13-15-25(23)27)20-14-16-30-28(18-20)26-11-5-6-12-29(26)31-30/h3-28H,1-2H3;1-26H;1-4,6-13,15-26H,5,14H2;1-22H;1-24H;1-18H.

What are the key properties of 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene?

9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene has a molecular weight of 3005.81 g/mol, XLogP of 63.91, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;10-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-3,4-dihydrophenanthrene;2-phenyl-7-(3-phenylphenyl)triphenylene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene;2-triphenylen-2-yldibenzofuran;4-(3-triphenylen-2-ylphenyl)dibenzothiophene is sourced from PubChem (CID 157145642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).