3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole

C46H34N2 — CID 58175201

IUPAC3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole
SMILESCc1c(C)n(-c2ccc3cc4ccccc4cc3c2)c2c1ccc1c2ccc2c(C)c(C)n(-c3ccc4cc5ccccc5cc4c3)c21
InChIInChI=1S/C46H34N2/c1-27-29(3)47(39-15-13-35-21-31-9-5-7-11-33(31)23-37(35)25-39)45-41(27)17-19-44-43(45)20-18-42-28(2)30(4)48(46(42)44)40-16-14-36-22-32-10-6-8-12-34(32)24-38(36)26-40/h5-26H,1-4H3
InChIKeyIFBLPXODRAWXOA-UHFFFAOYSA-N
MW614.79 g/mol
LogP12.57
Rot. Bonds2

About 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole

3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole (PubChem CID 58175201) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole.

Molecular Properties

Compound Name3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole
PubChem CID58175201
Molecular FormulaC46H34N2
Molecular Weight614.79 g/mol
Exact Mass614.27
IUPAC Name3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole
SMILESCc1c(C)n(-c2ccc3cc4ccccc4cc3c2)c2c1ccc1c2ccc2c(C)c(C)n(-c3ccc4cc5ccccc5cc4c3)c21
InChIInChI=1S/C46H34N2/c1-27-29(3)47(39-15-13-35-21-31-9-5-7-11-33(31)23-37(35)25-39)45-41(27)17-19-44-43(45)20-18-42-28(2)30(4)48(46(42)44)40-16-14-36-22-32-10-6-8-12-34(32)24-38(36)26-40/h5-26H,1-4H3
InChIKeyIFBLPXODRAWXOA-UHFFFAOYSA-N
XLogP12.57
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.79
LogP ≤ 512.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-anthracen-2-yl-4,5-dimethyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11(19),12,14,16-nonaene
CID 58161534
1-anthracen-2-yl-2,3-dimethyl-6-naphthalen-2-ylbenzo[f]indole
CID 58536037
2-[4-(2,3-dimethyl-1-naphthalen-2-ylbenzo[g]indol-6-yl)phenyl]-1,3-benzoxazole
CID 58556626
2,12-ditert-butyl-7,8,17,18-tetramethyl-6,16-dinaphthalen-2-yl-6,16-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),2,4,7,9,11,14,17,19-nonaene
CID 58131780
3,13-bis(9,9-dimethylfluoren-2-yl)-4,5,14,15-tetramethyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
CID 58161447
5,10-ditert-butyl-2,3-dimethyl-1-naphthalen-2-ylnaphtho[2,3-f]indole
CID 58161270
3,13-bis(9-ethylcarbazol-3-yl)-4,5,14,15-tetramethyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
CID 58161465
11-(6-chloronaphthalen-2-yl)benzo[a]carbazole
CID 167038091
1-[(2,3-dimethylbenzo[g]indol-1-yl)methyl]-2,3-dimethylbenzo[g]indole
CID 20682975
9,18-dinaphthalen-2-yl-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 170244542
9-N,23-N,14,28-tetranaphthalen-2-yl-9-N,23-N-diphenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.07,12.018,27.021,26]octacosa-1(17),2,4(13),5,7(12),8,10,15,18(27),19,21(26),22,24-tridecaene-9,23-diamine
CID 163869323
2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108

Frequently Asked Questions

What is the IUPAC name of 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole?
The IUPAC name of 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole (CID 58175201) is 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole.
What is the SMILES notation for 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole?
The canonical SMILES for 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole is Cc1c(C)n(-c2ccc3cc4ccccc4cc3c2)c2c1ccc1c2ccc2c(C)c(C)n(-c3ccc4cc5ccccc5cc4c3)c21.
What is the InChIKey of 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole?
The InChIKey is IFBLPXODRAWXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-27-29(3)47(39-15-13-35-21-31-9-5-7-11-33(31)23-37(35)25-39)45-41(27)17-19-44-43(45)20-18-42-28(2)30(4)48(46(42)44)40-16-14-36-22-32-10-6-8-12-34(32)24-38(36)26-40/h5-26H,1-4H3.
What are the key properties of 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole?
3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole has a molecular weight of 614.79 g/mol, XLogP of 12.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-di(anthracen-2-yl)-1,2,6,7-tetramethylindolo[7,6-g]indole is sourced from PubChem (CID 58175201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).