1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole

C118H88N4 — CID 159771384

IUPAC1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
SMILESCc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3n2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1.Cc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc5cc6ccccc6cc5c4)cc3n2-c2ccc3cc4ccccc4cc3c2)cc1
InChIInChI=1S/C66H52N2.C52H36N2/c1-41-15-19-45(20-16-41)61-37-49-39-64-50(40-63(49)67(61)51-29-23-43(24-30-51)47-27-33-55-53-11-7-9-13-57(53)65(3,4)59(55)35-47)38-62(46-21-17-42(2)18-22-46)68(64)52-31-25-44(26-32-52)48-28-34-56-54-12-8-10-14-58(54)66(5,6)60(56)36-48;1-33-11-15-35(16-12-33)49-29-45-31-52-46(32-51(45)53(49)47-21-19-41-23-37-7-3-5-9-39(37)25-43(41)27-47)30-50(36-17-13-34(2)14-18-36)54(52)48-22-20-42-24-38-8-4-6-10-40(38)26-44(42)28-48/h7-40H,1-6H3;3-32H,1-2H3
InChIKeyNGDSCUCHTGMHDX-UHFFFAOYSA-N
MW1562.03 g/mol
LogP31.61
Rot. Bonds10

About 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole

1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole (PubChem CID 159771384) has the molecular formula C118H88N4 and a molecular weight of 1562.03 g/mol. Its IUPAC name is 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole.

Molecular Properties

Compound Name1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
PubChem CID159771384
Molecular FormulaC118H88N4
Molecular Weight1562.03 g/mol
Exact Mass1560.70
IUPAC Name1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
SMILESCc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3n2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1.Cc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc5cc6ccccc6cc5c4)cc3n2-c2ccc3cc4ccccc4cc3c2)cc1
InChIInChI=1S/C66H52N2.C52H36N2/c1-41-15-19-45(20-16-41)61-37-49-39-64-50(40-63(49)67(61)51-29-23-43(24-30-51)47-27-33-55-53-11-7-9-13-57(53)65(3,4)59(55)35-47)38-62(46-21-17-42(2)18-22-46)68(64)52-31-25-44(26-32-52)48-28-34-56-54-12-8-10-14-58(54)66(5,6)60(56)36-48;1-33-11-15-35(16-12-33)49-29-45-31-52-46(32-51(45)53(49)47-21-19-41-23-37-7-3-5-9-39(37)25-43(41)27-47)30-50(36-17-13-34(2)14-18-36)54(52)48-22-20-42-24-38-8-4-6-10-40(38)26-44(42)28-48/h7-40H,1-6H3;3-32H,1-2H3
InChIKeyNGDSCUCHTGMHDX-UHFFFAOYSA-N
XLogP31.61
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001562.03
LogP ≤ 531.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole with MolForge

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Related Compounds

1-(9,9-dimethylfluoren-2-yl)-6-(1,2-diphenylindol-6-yl)-2-phenylindole
CID 71229871
1-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,5-bis(4-methylphenyl)pyrrole
CID 58489457
5-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-1-(9,9-dimethylfluoren-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 71016755
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
9-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]carbazole
CID 118595114
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 159796041
2-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312240
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole?
The IUPAC name of 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole (CID 159771384) is 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole.
What is the SMILES notation for 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole?
The canonical SMILES for 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole is Cc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3n2-c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc1.Cc1ccc(-c2cc3cc4c(cc(-c5ccc(C)cc5)n4-c4ccc5cc6ccccc6cc5c4)cc3n2-c2ccc3cc4ccccc4cc3c2)cc1.
What is the InChIKey of 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole?
The InChIKey is NGDSCUCHTGMHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N2.C52H36N2/c1-41-15-19-45(20-16-41)61-37-49-39-64-50(40-63(49)67(61)51-29-23-43(24-30-51)47-27-33-55-53-11-7-9-13-57(53)65(3,4)59(55)35-47)38-62(46-21-17-42(2)18-22-46)68(64)52-31-25-44(26-32-52)48-28-34-56-54-12-8-10-14-58(54)66(5,6)60(56)36-48;1-33-11-15-35(16-12-33)49-29-45-31-52-46(32-51(45)53(49)47-21-19-41-23-37-7-3-5-9-39(37)25-43(41)27-47)30-50(36-17-13-34(2)14-18-36)54(52)48-22-20-42-24-38-8-4-6-10-40(38)26-44(42)28-48/h7-40H,1-6H3;3-32H,1-2H3.
What are the key properties of 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole?
1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole has a molecular weight of 1562.03 g/mol, XLogP of 31.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole is sourced from PubChem (CID 159771384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).