N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline

C206H141N7 — CID 158182508

About N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline

N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline (PubChem CID 158182508) has the molecular formula C206H141N7 and a molecular weight of 2734.57 g/mol. Its IUPAC name is N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline
• PubChem CID: 158182508
• Molecular Formula: C206H141N7
• Molecular Weight: 2734.57 g/mol
• Exact Mass: 2732.25
• IUPAC Name: N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7c7ccccc7c5n6-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6)cc5)cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)c4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7c7ccccc7c5n6-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c([2H])c1[2H]
• InChI: InChI=1S/C76H53N3.C68H46N2.C62H42N2/c1-6-18-54(19-7-1)56-30-40-68(41-31-56)77(65-23-10-3-11-24-65)70-44-34-58(35-45-70)62-50-63(59-36-46-71(47-37-59)78(66-25-12-4-13-26-66)69-42-32-57(33-43-69)55-20-8-2-9-21-55)52-64(51-62)61-39-49-75-74(53-61)73-48-38-60-22-16-17-29-72(60)76(73)79(75)67-27-14-5-15-28-67;1-4-14-47(15-5-1)51-28-37-57(38-29-51)69(58-39-30-52(31-40-58)48-16-6-2-7-17-48)59-41-32-54(33-42-59)50-24-26-55(27-25-50)56-36-45-66-65(46-56)67-63-22-12-10-20-61(63)62-21-11-13-23-64(62)68(67)70(66)60-43-34-53(35-44-60)49-18-8-3-9-19-49;1-4-14-43(15-5-1)46-28-35-52(36-29-46)63(51-18-8-3-9-19-51)53-37-30-48(31-38-53)45-24-26-49(27-25-45)50-34-41-60-59(42-50)61-57-22-12-10-20-55(57)56-21-11-13-23-58(56)62(61)64(60)54-39-32-47(33-40-54)44-16-6-2-7-17-44/h1-53H;1-46H;1-42H/i1D,2D,6D,7D,8D,9D,18D,19D,20D,21D;2*1D,4D,5D,14D,15D
• InChIKey: FYTOQRPKGBZJBA-XLOKQSMSSA-N
• XLogP: 57.33
• TPSA: 27.75 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 29
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2734.57
LogP ≤ 5	57.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline?

The IUPAC name of N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline (CID 158182508) is N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline.

What is the SMILES notation for N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline?

The canonical SMILES for N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7c7ccccc7c5n6-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccc(N(c6ccccc6)c6ccc(-c7c([2H])c([2H])c([2H])c([2H])c7[2H])cc6)cc5)cc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccccc5)c4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)c5c7ccccc7c7ccccc7c5n6-c5ccc(-c6ccccc6)cc5)cc4)cc3)cc2)c([2H])c1[2H].

What is the InChIKey of N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline?

The InChIKey is FYTOQRPKGBZJBA-XLOKQSMSSA-N. The full InChI is InChI=1S/C76H53N3.C68H46N2.C62H42N2/c1-6-18-54(19-7-1)56-30-40-68(41-31-56)77(65-23-10-3-11-24-65)70-44-34-58(35-45-70)62-50-63(59-36-46-71(47-37-59)78(66-25-12-4-13-26-66)69-42-32-57(33-43-69)55-20-8-2-9-21-55)52-64(51-62)61-39-49-75-74(53-61)73-48-38-60-22-16-17-29-72(60)76(73)79(75)67-27-14-5-15-28-67;1-4-14-47(15-5-1)51-28-37-57(38-29-51)69(58-39-30-52(31-40-58)48-16-6-2-7-17-48)59-41-32-54(33-42-59)50-24-26-55(27-25-50)56-36-45-66-65(46-56)67-63-22-12-10-20-61(63)62-21-11-13-23-64(62)68(67)70(66)60-43-34-53(35-44-60)49-18-8-3-9-19-49;1-4-14-43(15-5-1)46-28-35-52(36-29-46)63(51-18-8-3-9-19-51)53-37-30-48(31-38-53)45-24-26-49(27-25-45)50-34-41-60-59(42-50)61-57-22-12-10-20-55(57)56-21-11-13-23-58(56)62(61)64(60)54-39-32-47(33-40-54)44-16-6-2-7-17-44/h1-53H;1-46H;1-42H/i1D,2D,6D,7D,8D,9D,18D,19D,20D,21D;2*1D,4D,5D,14D,15D.

What are the key properties of N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline?

N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline has a molecular weight of 2734.57 g/mol, XLogP of 57.33, 29 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[3-[4-(N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anilino)phenyl]-5-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-N-phenylaniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-[21-(4-phenylphenyl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 158182508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).