5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine

C361H243N25O — CID 158481598

About 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine

5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine (PubChem CID 158481598) has the molecular formula C361H243N25O and a molecular weight of 4947.09 g/mol. Its IUPAC name is 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine.

Molecular Properties

• Compound Name: 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine
• PubChem CID: 158481598
• Molecular Formula: C361H243N25O
• Molecular Weight: 4947.09 g/mol
• Exact Mass: 4942.97
• IUPAC Name: 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine
• SMILES: c1ccc(-n2c(-c3cccc4ccccc34)nc3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc4c32)cc1.c1ccc(-n2c(-c3cccc4ccccc34)nc3c4cc(N5c6ccccc6CCc6ccccc65)ccc4c4ccc(N5c6ccccc6CCc6ccccc65)cc4c32)cc1.c1ccc(N(c2ccc3c(c2)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2c2c3nc(-c3cccc4ccccc34)n2-c2ccccc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6c6c(nc(-c7cccc8ccccc78)n6-c6ccccc6)c5c4)cc3)cc2)cc1.c1ccc2c(-c3nc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc5c4o3)cccc2c1.c1ccc2c(c1)CCc1ccccc1N2c1ccc2c(c1)c1cc(N3c4ccccc4CCc4ccccc43)ccc1c1nccnc21
• InChI: InChI=1S/C91H64N6.C63H42N4.C59H42N4.C55H34N4.C49H29N3O.C44H32N4/c1-8-27-70(28-9-1)93(71-29-10-2-11-30-71)77-51-43-65(44-52-77)67-47-55-79(56-48-67)95(74-35-16-5-17-36-74)81-59-61-84-85-62-60-82(64-88(85)90-89(87(84)63-81)92-91(97(90)76-39-20-7-21-40-76)86-42-24-26-69-25-22-23-41-83(69)86)96(75-37-18-6-19-38-75)80-57-49-68(50-58-80)66-45-53-78(54-46-66)94(72-31-12-3-13-32-72)73-33-14-4-15-34-73;1-4-25-46(26-5-1)65(59-35-17-23-44-20-11-14-32-52(44)59)49-37-39-54-57(41-49)58-42-50(66(47-27-6-2-7-28-47)60-36-18-24-45-21-12-15-33-53(45)60)38-40-55(58)62-61(54)64-63(67(62)48-29-8-3-9-30-48)56-34-16-22-43-19-10-13-31-51(43)56;1-2-21-44(22-3-1)63-58-52-38-46(62-55-27-12-7-18-42(55)31-32-43-19-8-13-28-56(43)62)34-36-49(52)48-35-33-45(61-53-25-10-5-16-40(53)29-30-41-17-6-11-26-54(41)61)37-51(48)57(58)60-59(63)50-24-14-20-39-15-4-9-23-47(39)50;1-2-17-36(18-3-1)59-54-48-34-38(58-51-27-12-8-22-44(51)45-23-9-13-28-52(45)58)30-32-41(48)40-31-29-37(57-49-25-10-6-20-42(49)43-21-7-11-26-50(43)57)33-47(40)53(54)56-55(59)46-24-14-16-35-15-4-5-19-39(35)46;1-2-14-33-30(12-1)13-11-19-40(33)49-50-47-41-28-31(51-43-20-7-3-15-36(43)37-16-4-8-21-44(37)51)24-26-34(41)35-27-25-32(29-42(35)48(47)53-49)52-45-22-9-5-17-38(45)39-18-6-10-23-46(39)52;1-5-13-39-29(9-1)17-18-30-10-2-6-14-40(30)47(39)33-21-23-35-37(27-33)38-28-34(22-24-36(38)44-43(35)45-25-26-46-44)48-41-15-7-3-11-31(41)19-20-32-12-4-8-16-42(32)48/h1-64H;1-42H;1-28,33-38H,29-32H2;1-34H;1-29H;1-16,21-28H,17-20H2
• InChIKey: HHOSNEVQSAHCOU-UHFFFAOYSA-N
• XLogP: 96.62
• TPSA: 175.21 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 37
• Heavy Atoms: 387
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4947.09
LogP ≤ 5	96.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine?

The IUPAC name of 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine (CID 158481598) is 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine.

What is the SMILES notation for 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine?

The canonical SMILES for 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine is c1ccc(-n2c(-c3cccc4ccccc34)nc3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc4c32)cc1.c1ccc(-n2c(-c3cccc4ccccc34)nc3c4cc(N5c6ccccc6CCc6ccccc65)ccc4c4ccc(N5c6ccccc6CCc6ccccc65)cc4c32)cc1.c1ccc(N(c2ccc3c(c2)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2c2c3nc(-c3cccc4ccccc34)n2-c2ccccc2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6c6c(nc(-c7cccc8ccccc78)n6-c6ccccc6)c5c4)cc3)cc2)cc1.c1ccc2c(-c3nc4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc5c4o3)cccc2c1.c1ccc2c(c1)CCc1ccccc1N2c1ccc2c(c1)c1cc(N3c4ccccc4CCc4ccccc43)ccc1c1nccnc21.

What is the InChIKey of 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine?

The InChIKey is HHOSNEVQSAHCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H64N6.C63H42N4.C59H42N4.C55H34N4.C49H29N3O.C44H32N4/c1-8-27-70(28-9-1)93(71-29-10-2-11-30-71)77-51-43-65(44-52-77)67-47-55-79(56-48-67)95(74-35-16-5-17-36-74)81-59-61-84-85-62-60-82(64-88(85)90-89(87(84)63-81)92-91(97(90)76-39-20-7-21-40-76)86-42-24-26-69-25-22-23-41-83(69)86)96(75-37-18-6-19-38-75)80-57-49-68(50-58-80)66-45-53-78(54-46-66)94(72-31-12-3-13-32-72)73-33-14-4-15-34-73;1-4-25-46(26-5-1)65(59-35-17-23-44-20-11-14-32-52(44)59)49-37-39-54-57(41-49)58-42-50(66(47-27-6-2-7-28-47)60-36-18-24-45-21-12-15-33-53(45)60)38-40-55(58)62-61(54)64-63(67(62)48-29-8-3-9-30-48)56-34-16-22-43-19-10-13-31-51(43)56;1-2-21-44(22-3-1)63-58-52-38-46(62-55-27-12-7-18-42(55)31-32-43-19-8-13-28-56(43)62)34-36-49(52)48-35-33-45(61-53-25-10-5-16-40(53)29-30-41-17-6-11-26-54(41)61)37-51(48)57(58)60-59(63)50-24-14-20-39-15-4-9-23-47(39)50;1-2-17-36(18-3-1)59-54-48-34-38(58-51-27-12-8-22-44(51)45-23-9-13-28-52(45)58)30-32-41(48)40-31-29-37(57-49-25-10-6-20-42(49)43-21-7-11-26-50(43)57)33-47(40)53(54)56-55(59)46-24-14-16-35-15-4-5-19-39(35)46;1-2-14-33-30(12-1)13-11-19-40(33)49-50-47-41-28-31(51-43-20-7-3-15-36(43)37-16-4-8-21-44(37)51)24-26-34(41)35-27-25-32(29-42(35)48(47)53-49)52-45-22-9-5-17-38(45)39-18-6-10-23-46(39)52;1-5-13-39-29(9-1)17-18-30-10-2-6-14-40(30)47(39)33-21-23-35-37(27-33)38-28-34(22-24-36(38)44-43(35)45-25-26-46-44)48-41-15-7-3-11-31(41)19-20-32-12-4-8-16-42(32)48/h1-64H;1-42H;1-28,33-38H,29-32H2;1-34H;1-29H;1-16,21-28H,17-20H2.

What are the key properties of 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine?

5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine has a molecular weight of 4947.09 g/mol, XLogP of 96.62, 37 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;7,10-bis(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenanthro[9,10-b]pyrazine;5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;5,10-di(carbazol-9-yl)-2-naphthalen-1-yl-3-phenylphenanthro[9,10-d]imidazole;2-naphthalen-1-yl-5-N,10-N,3-triphenyl-5-N,10-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthro[9,10-d]imidazole-5,10-diamine;6-N,9-N,2-trinaphthalen-1-yl-6-N,9-N,3-triphenylphenanthro[9,10-d]imidazole-6,9-diamine is sourced from PubChem (CID 158481598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).