benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile

C196H152F2N10O2 — CID 158400121

IUPACbenzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile
SMILESCC(C)(C)c1ccc(-n2ccc3cc4c(ccn4-c4ccc(C(C)(C)C)cc4)cc32)cc1.COc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(OC)cc4)cc32)cc1.Fc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(F)cc4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(C#N)cc4)cc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C48H30N4.C48H36N2O2.C46H30F2N2.C30H32N2.4C6H6/c1-50-42-22-26-44(27-23-42)52-46(39-20-16-37(17-21-39)35-10-6-3-7-11-35)29-41-30-47-40(31-48(41)52)28-45(51(47)43-24-12-33(32-49)13-25-43)38-18-14-36(15-19-38)34-8-4-2-5-9-34;1-51-43-25-21-41(22-26-43)49-45(37-17-13-35(14-18-37)33-9-5-3-6-10-33)29-39-32-48-40(31-47(39)49)30-46(50(48)42-23-27-44(52-2)28-24-42)38-19-15-36(16-20-38)34-11-7-4-8-12-34;47-39-19-23-41(24-20-39)49-43(35-15-11-33(12-16-35)31-7-3-1-4-8-31)27-37-29-46-38(30-45(37)49)28-44(50(46)42-25-21-40(48)22-26-42)36-17-13-34(14-18-36)32-9-5-2-6-10-32;1-29(2,3)23-7-11-25(12-8-23)31-17-15-21-20-28-22(19-27(21)31)16-18-32(28)26-13-9-24(10-14-26)30(4,5)6;4*1-2-4-6-5-3-1/h2-31H;3-32H,1-2H3;1-30H;7-20H,1-6H3;4*1-6H
InChIKeyGXZPUCCKBWWCQS-UHFFFAOYSA-N
MW2717.44 g/mol
LogP52.36
Rot. Bonds22

About benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile

benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile (PubChem CID 158400121) has the molecular formula C196H152F2N10O2 and a molecular weight of 2717.44 g/mol. Its IUPAC name is benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile.

Molecular Properties

Compound Namebenzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile
PubChem CID158400121
Molecular FormulaC196H152F2N10O2
Molecular Weight2717.44 g/mol
Exact Mass2715.21
IUPAC Namebenzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile
SMILESCC(C)(C)c1ccc(-n2ccc3cc4c(ccn4-c4ccc(C(C)(C)C)cc4)cc32)cc1.COc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(OC)cc4)cc32)cc1.Fc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(F)cc4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(C#N)cc4)cc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C48H30N4.C48H36N2O2.C46H30F2N2.C30H32N2.4C6H6/c1-50-42-22-26-44(27-23-42)52-46(39-20-16-37(17-21-39)35-10-6-3-7-11-35)29-41-30-47-40(31-48(41)52)28-45(51(47)43-24-12-33(32-49)13-25-43)38-18-14-36(15-19-38)34-8-4-2-5-9-34;1-51-43-25-21-41(22-26-43)49-45(37-17-13-35(14-18-37)33-9-5-3-6-10-33)29-39-32-48-40(31-47(39)49)30-46(50(48)42-23-27-44(52-2)28-24-42)38-19-15-36(16-20-38)34-11-7-4-8-12-34;47-39-19-23-41(24-20-39)49-43(35-15-11-33(12-16-35)31-7-3-1-4-8-31)27-37-29-46-38(30-45(37)49)28-44(50(46)42-25-21-40(48)22-26-42)36-17-13-34(14-18-36)32-9-5-2-6-10-32;1-29(2,3)23-7-11-25(12-8-23)31-17-15-21-20-28-22(19-27(21)31)16-18-32(28)26-13-9-24(10-14-26)30(4,5)6;4*1-2-4-6-5-3-1/h2-31H;3-32H,1-2H3;1-30H;7-20H,1-6H3;4*1-6H
InChIKeyGXZPUCCKBWWCQS-UHFFFAOYSA-N
XLogP52.36
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002717.44
LogP ≤ 552.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile with MolForge

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Related Compounds

9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 122546733
9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 134215672
9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 134215674
9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]-2,4,6-trimethylphenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 134215675
9-[[3,5-bis[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N-(4-methoxyphenyl)-3-N,6-N,6-N-tris[4-(trifluoromethoxy)phenyl]carbazole-3,6-diamine
CID 134220708
1-[4-[4-(6-Cyanoindol-1-yl)-3-(trifluoromethyl)phenoxy]phenyl]indole-6-carbonitrile
CID 141349029
9-[[3,5-bis[[3,6-bis(4-methyl-N-(4-methylphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methylphenyl)carbazole-3,6-diamine;9-[[3-[[3-(4-methoxy-N-(4-methoxyphenyl)anilino)-6-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)carbazol-9-yl]methyl]-5-[[3-(4-methoxy-N-[4-(trifluoromethoxy)phenyl]anilino)-6-[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 157577698
2-Tert-butyl-9-[3-[5-(2-tert-butylcarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole;9-[3-[5-(3,6-dimethoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]-3,6-dimethoxycarbazole;3-methoxy-9-[3-[5-(3-methoxycarbazol-9-yl)-2-methylphenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 158206014
9-[3-(5-Carbazol-9-yl-2-methylphenyl)-4-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenoxy)phenyl]carbazole;9-[4-[2-[4-(2,7-dimethylcarbazol-9-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,7-dimethylcarbazole;9-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2,4,7-trimethylcarbazol-9-yl)phenyl]propan-2-yl]phenyl]-2,4,7-trimethylcarbazole
CID 158447811
9-[[3,5-bis[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine;9-[[4-[[3,6-bis[4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]anilino]carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine
CID 158670512
3-[3-[3,5-Bis[3-(1-phenylindol-3-yl)phenyl]phenyl]phenyl]-1-phenylindole;5-fluoro-3-[2-(5-fluoro-1-phenylindol-3-yl)propan-2-yl]-1-phenylindole;1-(4-fluorophenyl)-3-[2-[1-(4-fluorophenyl)indol-3-yl]propan-2-yl]indole;4-[3-[2-[1-(4-isocyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile;1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole;3-[3-methyl-4-[2-methyl-4-(1-phenylindol-3-yl)phenyl]phenyl]-1-phenylindole;2-(1-phenylindol-3-yl)-9-[3-[9-(1-phenylindol-3-yl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;1-phenyl-3-[2-[1-phenyl-5-(trifluoromethyl)indol-3-yl]propan-2-yl]-5-(trifluoromethyl)indole;trimethyl-[1-phenyl-3-[2-(1-phenyl-5-trimethylsilylindol-3-yl)propan-2-yl]indol-5-yl]silane
CID 158761963
4-[bis(9-phenyl-6-triphenylsilylcarbazol-3-yl)amino]benzonitrile;1-N,1-N-diphenyl-4-N,4-N-bis(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine;N-(4-phenoxyphenyl)-9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-6-triphenylsilylcarbazol-3-amine;9-phenyl-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-6-triphenylsilylcarbazol-3-amine
CID 158787478

Frequently Asked Questions

What is the IUPAC name of benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile?
The IUPAC name of benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile (CID 158400121) is benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile.
What is the SMILES notation for benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile?
The canonical SMILES for benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile is CC(C)(C)c1ccc(-n2ccc3cc4c(ccn4-c4ccc(C(C)(C)C)cc4)cc32)cc1.COc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(OC)cc4)cc32)cc1.Fc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(F)cc4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(C#N)cc4)cc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile?
The InChIKey is GXZPUCCKBWWCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4.C48H36N2O2.C46H30F2N2.C30H32N2.4C6H6/c1-50-42-22-26-44(27-23-42)52-46(39-20-16-37(17-21-39)35-10-6-3-7-11-35)29-41-30-47-40(31-48(41)52)28-45(51(47)43-24-12-33(32-49)13-25-43)38-18-14-36(15-19-38)34-8-4-2-5-9-34;1-51-43-25-21-41(22-26-43)49-45(37-17-13-35(14-18-37)33-9-5-3-6-10-33)29-39-32-48-40(31-47(39)49)30-46(50(48)42-23-27-44(52-2)28-24-42)38-19-15-36(16-20-38)34-11-7-4-8-12-34;47-39-19-23-41(24-20-39)49-43(35-15-11-33(12-16-35)31-7-3-1-4-8-31)27-37-29-46-38(30-45(37)49)28-44(50(46)42-25-21-40(48)22-26-42)36-17-13-34(14-18-36)32-9-5-2-6-10-32;1-29(2,3)23-7-11-25(12-8-23)31-17-15-21-20-28-22(19-27(21)31)16-18-32(28)26-13-9-24(10-14-26)30(4,5)6;4*1-2-4-6-5-3-1/h2-31H;3-32H,1-2H3;1-30H;7-20H,1-6H3;4*1-6H.
What are the key properties of benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile?
benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile has a molecular weight of 2717.44 g/mol, XLogP of 52.36, 22 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,5-bis(4-tert-butylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-fluorophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;1,5-bis(4-methoxyphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indole;4-[5-(4-isocyanophenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-1-yl]benzonitrile is sourced from PubChem (CID 158400121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).