6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole

C233H172N4 — CID 159547632

IUPAC6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole
SMILESCC(C)(C)c1c2ccccc2c(C(C)(C)C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccc7cccc8ccc5c6c78)c34)ccc12.CC(C)(C)c1c2ccccc2c(C(C)(C)C)c2cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6ccc7c8c9c(ccc68)C=CCC9C=C7)cccc5c43)ccc12.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccc7cccc8ccc5c6c78)c34)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3c2ccc2c(-c4ccc5ccccc5c4)cccc23)cc1
InChIInChI=1S/C62H49N.C62H51N.C55H37N.C54H35N/c1-61(2,3)57-46-23-13-14-24-47(46)58(62(4,5)6)52-37-43(30-32-48(52)57)44-25-16-26-49-45(44)34-35-51-56(38-17-9-7-10-18-38)59(42-19-11-8-12-20-42)63(60(49)51)53-36-31-41-28-27-39-21-15-22-40-29-33-50(53)55(41)54(39)40;1-61(2,3)57-48-23-13-14-24-49(48)58(62(4,5)6)53-37-43(31-34-50(53)57)63-59(42-19-11-8-12-20-42)56(38-17-9-7-10-18-38)52-36-35-46-44(25-16-26-51(46)60(52)63)45-32-29-41-28-27-39-21-15-22-40-30-33-47(45)55(41)54(39)40;1-55(2)47-22-10-9-19-42(47)43-28-26-39(33-48(43)55)40-20-12-21-44-41(40)30-31-46-52(34-13-5-3-6-14-34)53(38-15-7-4-8-16-38)56(54(44)46)49-32-27-37-24-23-35-17-11-18-36-25-29-45(49)51(37)50(35)36;1-3-15-38(16-4-1)52-50-33-32-48-45(42-27-26-36-14-7-8-19-40(36)34-42)24-13-25-49(48)54(50)55(53(52)39-17-5-2-6-18-39)43-30-28-37(29-31-43)51-35-41-20-9-10-21-44(41)46-22-11-12-23-47(46)51/h7-37H,1-6H3;7-20,22-37,39H,21H2,1-6H3;3-33H,1-2H3;1-35H
InChIKeyMEZNXVCUHLSUIU-UHFFFAOYSA-N
MW3027.97 g/mol
LogP64.85
Rot. Bonds17

About 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole

6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole (PubChem CID 159547632) has the molecular formula C233H172N4 and a molecular weight of 3027.97 g/mol. Its IUPAC name is 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole.

Molecular Properties

Compound Name6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole
PubChem CID159547632
Molecular FormulaC233H172N4
Molecular Weight3027.97 g/mol
Exact Mass3025.36
IUPAC Name6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole
SMILESCC(C)(C)c1c2ccccc2c(C(C)(C)C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccc7cccc8ccc5c6c78)c34)ccc12.CC(C)(C)c1c2ccccc2c(C(C)(C)C)c2cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6ccc7c8c9c(ccc68)C=CCC9C=C7)cccc5c43)ccc12.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccc7cccc8ccc5c6c78)c34)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3c2ccc2c(-c4ccc5ccccc5c4)cccc23)cc1
InChIInChI=1S/C62H49N.C62H51N.C55H37N.C54H35N/c1-61(2,3)57-46-23-13-14-24-47(46)58(62(4,5)6)52-37-43(30-32-48(52)57)44-25-16-26-49-45(44)34-35-51-56(38-17-9-7-10-18-38)59(42-19-11-8-12-20-42)63(60(49)51)53-36-31-41-28-27-39-21-15-22-40-29-33-50(53)55(41)54(39)40;1-61(2,3)57-48-23-13-14-24-49(48)58(62(4,5)6)53-37-43(31-34-50(53)57)63-59(42-19-11-8-12-20-42)56(38-17-9-7-10-18-38)52-36-35-46-44(25-16-26-51(46)60(52)63)45-32-29-41-28-27-39-21-15-22-40-30-33-47(45)55(41)54(39)40;1-55(2)47-22-10-9-19-42(47)43-28-26-39(33-48(43)55)40-20-12-21-44-41(40)30-31-46-52(34-13-5-3-6-14-34)53(38-15-7-4-8-16-38)56(54(44)46)49-32-27-37-24-23-35-17-11-18-36-25-29-45(49)51(37)50(35)36;1-3-15-38(16-4-1)52-50-33-32-48-45(42-27-26-36-14-7-8-19-40(36)34-42)24-13-25-49(48)54(50)55(53(52)39-17-5-2-6-18-39)43-30-28-37(29-31-43)51-35-41-20-9-10-21-44(41)46-22-11-12-23-47(46)51/h7-37H,1-6H3;7-20,22-37,39H,21H2,1-6H3;3-33H,1-2H3;1-35H
InChIKeyMEZNXVCUHLSUIU-UHFFFAOYSA-N
XLogP64.85
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms237
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003027.97
LogP ≤ 564.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole?
The IUPAC name of 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole (CID 159547632) is 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole.
What is the SMILES notation for 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole?
The canonical SMILES for 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole is CC(C)(C)c1c2ccccc2c(C(C)(C)C)c2cc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccc7cccc8ccc5c6c78)c34)ccc12.CC(C)(C)c1c2ccccc2c(C(C)(C)C)c2cc(-n3c(-c4ccccc4)c(-c4ccccc4)c4ccc5c(-c6ccc7c8c9c(ccc68)C=CCC9C=C7)cccc5c43)ccc12.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3ccc3c(-c5ccccc5)c(-c5ccccc5)n(-c5ccc6ccc7cccc8ccc5c6c78)c34)cc21.c1ccc(-c2c(-c3ccccc3)n(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3c2ccc2c(-c4ccc5ccccc5c4)cccc23)cc1.
What is the InChIKey of 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole?
The InChIKey is MEZNXVCUHLSUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H49N.C62H51N.C55H37N.C54H35N/c1-61(2,3)57-46-23-13-14-24-47(46)58(62(4,5)6)52-37-43(30-32-48(52)57)44-25-16-26-49-45(44)34-35-51-56(38-17-9-7-10-18-38)59(42-19-11-8-12-20-42)63(60(49)51)53-36-31-41-28-27-39-21-15-22-40-29-33-50(53)55(41)54(39)40;1-61(2,3)57-48-23-13-14-24-49(48)58(62(4,5)6)53-37-43(31-34-50(53)57)63-59(42-19-11-8-12-20-42)56(38-17-9-7-10-18-38)52-36-35-46-44(25-16-26-51(46)60(52)63)45-32-29-41-28-27-39-21-15-22-40-30-33-47(45)55(41)54(39)40;1-55(2)47-22-10-9-19-42(47)43-28-26-39(33-48(43)55)40-20-12-21-44-41(40)30-31-46-52(34-13-5-3-6-14-34)53(38-15-7-4-8-16-38)56(54(44)46)49-32-27-37-24-23-35-17-11-18-36-25-29-45(49)51(37)50(35)36;1-3-15-38(16-4-1)52-50-33-32-48-45(42-27-26-36-14-7-8-19-40(36)34-42)24-13-25-49(48)54(50)55(53(52)39-17-5-2-6-18-39)43-30-28-37(29-31-43)51-35-41-20-9-10-21-44(41)46-22-11-12-23-47(46)51/h7-37H,1-6H3;7-20,22-37,39H,21H2,1-6H3;3-33H,1-2H3;1-35H.
What are the key properties of 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole?
6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole has a molecular weight of 3027.97 g/mol, XLogP of 64.85, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5a,6-dihydropyren-1-yl)-1-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenylbenzo[g]indole;6-(9,10-ditert-butylanthracen-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-(9,9-dimethylfluoren-2-yl)-2,3-diphenyl-1-pyren-1-ylbenzo[g]indole;6-naphthalen-2-yl-1-(4-phenanthren-9-ylphenyl)-2,3-diphenylbenzo[g]indole is sourced from PubChem (CID 159547632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).