2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole

C379H252N22 — CID 161308557

About 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole

2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole (PubChem CID 161308557) has the molecular formula C379H252N22 and a molecular weight of 5114.34 g/mol. Its IUPAC name is 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole.

Molecular Properties

• Compound Name: 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole
• PubChem CID: 161308557
• Molecular Formula: C379H252N22
• Molecular Weight: 5114.34 g/mol
• Exact Mass: 5110.04
• IUPAC Name: 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole
• SMILES: CC1(C)c2cc(-c3ccc4c(c3)n(-c3ccccc3)c3c5ccc(-c6ccc7c(c6)C(C)(C)c6cccc8cccc-7c68)cc5n(-c5ccccc5)c43)ccc2-c2cccc3cccc1c23.CC1(C)c2cc(-c3ccc4c(c3)n(-c3ccccc3)c3c5ccccc5n(-c5ccccc5)c43)ccc2-c2ccc(-c3ccc4c(c3)N(c3ccccc3)C3c5ccccc5N(c5ccccc5)C43)c3cccc1c23.[C-]#[N+]c1ccc(N(c2ccc3c(c2)n(-c2ccccc2)c2c4ccc(N(c5ccc(C#N)cc5)c5cccc6ccccc56)cc4n(-c4ccccc4)c32)c2cccc3ccccc23)cc1.[C-]#[N+]c1cccc(N(c2ccc3c(c2)n(-c2ccccc2)c2c4ccc(N(c5cccc(C#N)c5)c5cccc6ccccc56)cc4n(-c4ccccc4)c32)c2cccc3ccccc23)c1.c1ccc(-c2cccc(-c3cccc(-n4c5cc(-c6cccc7ccccc67)ccc5c5c4c4ccc(-c6cccc7ccccc67)cc4n5-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c3)c2)cc1.c1ccc2c(-c3ccc4c(c3)n(-c3cccc5ccccc35)c3c5ccc(-c6cccc7ccccc67)cc5n(-c5cccc6ccccc56)c43)cccc2c1
• InChI: InChI=1S/C71H50N4.C70H46N2.C64H46N2.2C60H38N6.C54H34N2/c1-71(2)60-31-19-30-54-52(47-36-39-59-65(44-47)75(51-26-13-6-14-27-51)68-57-29-16-18-33-63(57)73(70(59)68)49-22-9-4-10-23-49)40-41-55(66(54)60)53-37-34-45(42-61(53)71)46-35-38-58-64(43-46)74(50-24-11-5-12-25-50)67-56-28-15-17-32-62(56)72(69(58)67)48-20-7-3-8-21-48;1-3-17-47(18-4-1)51-25-11-27-53(41-51)55-29-13-31-59(43-55)71-67-45-57(63-35-15-23-49-21-7-9-33-61(49)63)37-39-65(67)70-69(71)66-40-38-58(64-36-16-24-50-22-8-10-34-62(50)64)46-68(66)72(70)60-32-14-30-56(44-60)54-28-12-26-52(42-54)48-19-5-2-6-20-48;1-63(2)53-25-13-17-39-15-11-23-49(59(39)53)47-31-27-41(35-55(47)63)43-29-33-51-57(37-43)65(45-19-7-5-8-20-45)62-52-34-30-44(38-58(52)66(61(51)62)46-21-9-6-10-22-46)42-28-32-48-50-24-12-16-40-18-14-26-54(60(40)50)64(3,4)56(48)36-42;1-62-44-21-15-27-48(37-44)64(56-31-14-20-43-18-9-11-29-52(43)56)50-33-35-54-58(39-50)66(46-24-6-3-7-25-46)59-53-34-32-49(38-57(53)65(60(54)59)45-22-4-2-5-23-45)63(47-26-12-16-41(36-47)40-61)55-30-13-19-42-17-8-10-28-51(42)55;1-62-44-28-32-48(33-29-44)64(56-25-13-17-43-15-9-11-23-52(43)56)50-35-37-54-58(39-50)66(46-20-6-3-7-21-46)59-53-36-34-49(38-57(53)65(60(54)59)45-18-4-2-5-19-45)63(47-30-26-41(40-61)27-31-47)55-24-12-16-42-14-8-10-22-51(42)55;1-5-21-41-35(13-1)17-9-25-43(41)39-29-31-47-51(33-39)55(49-27-11-19-37-15-3-7-23-45(37)49)54-48-32-30-40(44-26-10-18-36-14-2-6-22-42(36)44)34-52(48)56(53(47)54)50-28-12-20-38-16-4-8-24-46(38)50/h3-44,68,70H,1-2H3;1-46H;5-38H,1-4H3;2*2-39H;1-34H
• InChIKey: VIOVNVHSVHPHHA-UHFFFAOYSA-N
• XLogP: 102.09
• TPSA: 134.90 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 38
• Heavy Atoms: 401
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5114.34
LogP ≤ 5	102.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole?

The IUPAC name of 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole (CID 161308557) is 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole.

What is the SMILES notation for 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole?

The canonical SMILES for 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole is CC1(C)c2cc(-c3ccc4c(c3)n(-c3ccccc3)c3c5ccc(-c6ccc7c(c6)C(C)(C)c6cccc8cccc-7c68)cc5n(-c5ccccc5)c43)ccc2-c2cccc3cccc1c23.CC1(C)c2cc(-c3ccc4c(c3)n(-c3ccccc3)c3c5ccccc5n(-c5ccccc5)c43)ccc2-c2ccc(-c3ccc4c(c3)N(c3ccccc3)C3c5ccccc5N(c5ccccc5)C43)c3cccc1c23.[C-]#[N+]c1ccc(N(c2ccc3c(c2)n(-c2ccccc2)c2c4ccc(N(c5ccc(C#N)cc5)c5cccc6ccccc56)cc4n(-c4ccccc4)c32)c2cccc3ccccc23)cc1.[C-]#[N+]c1cccc(N(c2ccc3c(c2)n(-c2ccccc2)c2c4ccc(N(c5cccc(C#N)c5)c5cccc6ccccc56)cc4n(-c4ccccc4)c32)c2cccc3ccccc23)c1.c1ccc(-c2cccc(-c3cccc(-n4c5cc(-c6cccc7ccccc67)ccc5c5c4c4ccc(-c6cccc7ccccc67)cc4n5-c4cccc(-c5cccc(-c6ccccc6)c5)c4)c3)c2)cc1.c1ccc2c(-c3ccc4c(c3)n(-c3cccc5ccccc35)c3c5ccc(-c6cccc7ccccc67)cc5n(-c5cccc6ccccc56)c43)cccc2c1.

What is the InChIKey of 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole?

The InChIKey is VIOVNVHSVHPHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H50N4.C70H46N2.C64H46N2.2C60H38N6.C54H34N2/c1-71(2)60-31-19-30-54-52(47-36-39-59-65(44-47)75(51-26-13-6-14-27-51)68-57-29-16-18-33-63(57)73(70(59)68)49-22-9-4-10-23-49)40-41-55(66(54)60)53-37-34-45(42-61(53)71)46-35-38-58-64(43-46)74(50-24-11-5-12-25-50)67-56-28-15-17-32-62(56)72(69(58)67)48-20-7-3-8-21-48;1-3-17-47(18-4-1)51-25-11-27-53(41-51)55-29-13-31-59(43-55)71-67-45-57(63-35-15-23-49-21-7-9-33-61(49)63)37-39-65(67)70-69(71)66-40-38-58(64-36-16-24-50-22-8-10-34-62(50)64)46-68(66)72(70)60-32-14-30-56(44-60)54-28-12-26-52(42-54)48-19-5-2-6-20-48;1-63(2)53-25-13-17-39-15-11-23-49(59(39)53)47-31-27-41(35-55(47)63)43-29-33-51-57(37-43)65(45-19-7-5-8-20-45)62-52-34-30-44(38-58(52)66(61(51)62)46-21-9-6-10-22-46)42-28-32-48-50-24-12-16-40-18-14-26-54(60(40)50)64(3,4)56(48)36-42;1-62-44-21-15-27-48(37-44)64(56-31-14-20-43-18-9-11-29-52(43)56)50-33-35-54-58(39-50)66(46-24-6-3-7-25-46)59-53-34-32-49(38-57(53)65(60(54)59)45-22-4-2-5-23-45)63(47-26-12-16-41(36-47)40-61)55-30-13-19-42-17-8-10-28-51(42)55;1-62-44-28-32-48(33-29-44)64(56-25-13-17-43-15-9-11-23-52(43)56)50-35-37-54-58(39-50)66(46-20-6-3-7-21-46)59-53-36-34-49(38-57(53)65(60(54)59)45-18-4-2-5-19-45)63(47-30-26-41(40-61)27-31-47)55-24-12-16-42-14-8-10-22-51(42)55;1-5-21-41-35(13-1)17-9-25-43(41)39-29-31-47-51(33-39)55(49-27-11-19-37-15-3-7-23-45(37)49)54-48-32-30-40(44-26-10-18-36-14-2-6-22-42(36)44)34-52(48)56(53(47)54)50-28-12-20-38-16-4-8-24-46(38)50/h3-44,68,70H,1-2H3;1-46H;5-38H,1-4H3;2*2-39H;1-34H.

What are the key properties of 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole?

2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole has a molecular weight of 5114.34 g/mol, XLogP of 102.09, 38 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis(7,7-dimethylbenzo[a]phenalen-9-yl)-5,10-diphenylindolo[3,2-b]indole;2,7-dinaphthalen-1-yl-5,10-bis[3-(3-phenylphenyl)phenyl]indolo[3,2-b]indole;2-[3-(5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indol-2-yl)-7,7-dimethylbenzo[a]phenalen-9-yl]-5,10-diphenylindolo[3,2-b]indole;3-[[2-(3-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;4-[[2-(4-isocyano-N-naphthalen-1-ylanilino)-5,10-diphenylindolo[3,2-b]indol-7-yl]-naphthalen-1-ylamino]benzonitrile;2,5,7,10-tetranaphthalen-1-ylindolo[3,2-b]indole is sourced from PubChem (CID 161308557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).