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

C155H98N6 — CID 158322958

IUPAC8-(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
SMILESc1ccc(-c2ccc(-n3c4ccncc4c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc43)cc2)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C55H34N2.C51H32N2.C49H32N2/c1-2-16-39(17-3-1)57-52-28-26-37(31-48(52)51-34-56-30-29-53(51)57)36-25-27-47-50(32-36)54(44-24-12-15-35-13-4-6-18-40(35)44)45-22-10-11-23-46(45)55(47)49-33-38-14-5-7-19-41(38)42-20-8-9-21-43(42)49;1-2-16-37(17-3-1)53-48-27-25-36(30-45(48)47-32-52-29-28-49(47)53)35-24-26-44-46(31-35)51(41-23-11-15-34-13-5-7-19-39(34)41)43-21-9-8-20-42(43)50(44)40-22-10-14-33-12-4-6-18-38(33)40;1-4-12-33(13-5-1)34-20-24-39(25-21-34)51-46-27-23-38(30-43(46)45-32-50-29-28-47(45)51)37-22-26-42-44(31-37)49(36-16-8-3-9-17-36)41-19-11-10-18-40(41)48(42)35-14-6-2-7-15-35/h1-34H;1-32H;1-32H
InChIKeyGPBMHUMQHGXDPV-UHFFFAOYSA-N
MW2044.53 g/mol
LogP41.89
Rot. Bonds13

About 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

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 (PubChem CID 158322958) has the molecular formula C155H98N6 and a molecular weight of 2044.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID158322958
Molecular FormulaC155H98N6
Molecular Weight2044.53 g/mol
Exact Mass2042.79
IUPAC Name8-(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
SMILESc1ccc(-c2ccc(-n3c4ccncc4c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc43)cc2)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C55H34N2.C51H32N2.C49H32N2/c1-2-16-39(17-3-1)57-52-28-26-37(31-48(52)51-34-56-30-29-53(51)57)36-25-27-47-50(32-36)54(44-24-12-15-35-13-4-6-18-40(35)44)45-22-10-11-23-46(45)55(47)49-33-38-14-5-7-19-41(38)42-20-8-9-21-43(42)49;1-2-16-37(17-3-1)53-48-27-25-36(30-45(48)47-32-52-29-28-49(47)53)35-24-26-44-46(31-35)51(41-23-11-15-34-13-5-7-19-39(34)41)43-21-9-8-20-42(43)50(44)40-22-10-14-33-12-4-6-18-38(33)40;1-4-12-33(13-5-1)34-20-24-39(25-21-34)51-46-27-23-38(30-43(46)45-32-50-29-28-47(45)51)37-22-26-42-44(31-37)49(36-16-8-3-9-17-36)41-19-11-10-18-40(41)48(42)35-14-6-2-7-15-35/h1-34H;1-32H;1-32H
InChIKeyGPBMHUMQHGXDPV-UHFFFAOYSA-N
XLogP41.89
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms161
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002044.53
LogP ≤ 541.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(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 with MolForge

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Related Compounds

8-(9,10-diphenylanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 88879814
8-[2-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 118601871
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
3-[9,10-dinaphthalen-1-yl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]-9-phenylcarbazole;2-naphthalen-1-yl-6,9,10-triphenylanthracene;2,9,10-trinaphthalen-1-yl-6-phenylanthracene
CID 160576501
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 146427804
5-naphthalen-1-yl-10-naphthalen-2-yl-7-[4-(10-phenylanthracen-9-yl)phenyl]benzo[g]isoquinoline
CID 59183229
3-(4-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-phenyl-3-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159711358
5-phenyl-8-[3-[4-phenyl-6-[4-(10-phenylanthracen-9-yl)phenyl]pyrimidin-2-yl]phenyl]pyrido[4,3-b]indole
CID 118968780
8-[6-(3-tert-butyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 88886632
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 122524579

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-n3c4ccncc4c4cc(-c5ccc6c(-c7ccccc7)c7ccccc7c(-c7ccccc7)c6c5)ccc43)cc2)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(-c6cc7ccccc7c7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccncc3c3cc(-c4ccc5c(-c6cccc7ccccc67)c6ccccc6c(-c6cccc7ccccc67)c5c4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is GPBMHUMQHGXDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2.C51H32N2.C49H32N2/c1-2-16-39(17-3-1)57-52-28-26-37(31-48(52)51-34-56-30-29-53(51)57)36-25-27-47-50(32-36)54(44-24-12-15-35-13-4-6-18-40(35)44)45-22-10-11-23-46(45)55(47)49-33-38-14-5-7-19-41(38)42-20-8-9-21-43(42)49;1-2-16-37(17-3-1)53-48-27-25-36(30-45(48)47-32-52-29-28-49(47)53)35-24-26-44-46(31-35)51(41-23-11-15-34-13-5-7-19-39(34)41)43-21-9-8-20-42(43)50(44)40-22-10-14-33-12-4-6-18-38(33)40;1-4-12-33(13-5-1)34-20-24-39(25-21-34)51-46-27-23-38(30-43(46)45-32-50-29-28-47(45)51)37-22-26-42-44(31-37)49(36-16-8-3-9-17-36)41-19-11-10-18-40(41)48(42)35-14-6-2-7-15-35/h1-34H;1-32H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 2044.53 g/mol, XLogP of 41.89, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158322958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).