8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine

C210H145N3 — CID 158923268

IUPAC8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(-c6ccccc6)c(N(c6ccccc6)c6ccccc6)c6ccccc6c5cc34)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)c(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c3ccccc35)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc5c(cc34)c(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c3ccccc35)cc2)cc1
InChIInChI=1S/C76H51N.C70H51N.C64H43N/c1-8-26-52(27-9-1)57-44-58(53-28-10-2-11-29-53)47-61(46-57)73-66-41-23-24-42-67(66)74(62-48-59(54-30-12-3-13-31-54)45-60(49-62)55-32-14-4-15-33-55)72-51-70-69(50-71(72)73)65-40-22-25-43-68(65)76(75(70)56-34-16-5-17-35-56)77(63-36-18-6-19-37-63)64-38-20-7-21-39-64;1-69(2)62-35-21-19-30-51(62)57-40-45(37-39-63(57)69)65-53-31-15-16-32-54(53)66(46-36-38-52-50-29-18-20-34-61(50)70(3,4)64(52)41-46)60-43-58-56(42-59(60)65)49-28-14-17-33-55(49)68(67(58)44-22-8-5-9-23-44)71(47-24-10-6-11-25-47)48-26-12-7-13-27-48;1-6-20-44(21-7-1)46-34-38-49(39-35-46)61-54-31-17-18-32-55(54)62(50-40-36-47(37-41-50)45-22-8-2-9-23-45)60-43-58-57(42-59(60)61)53-30-16-19-33-56(53)64(63(58)48-24-10-3-11-25-48)65(51-26-12-4-13-27-51)52-28-14-5-15-29-52/h1-51H;5-43H,1-4H3;1-43H
InChIKeyJICLKEBZNRTHSA-UHFFFAOYSA-N
MW2710.49 g/mol
LogP58.93
Rot. Bonds24

About 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine

8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine (PubChem CID 158923268) has the molecular formula C210H145N3 and a molecular weight of 2710.49 g/mol. Its IUPAC name is 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine.

Molecular Properties

Compound Name8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine
PubChem CID158923268
Molecular FormulaC210H145N3
Molecular Weight2710.49 g/mol
Exact Mass2708.14
IUPAC Name8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(-c6ccccc6)c(N(c6ccccc6)c6ccccc6)c6ccccc6c5cc34)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)c(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c3ccccc35)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc5c(cc34)c(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c3ccccc35)cc2)cc1
InChIInChI=1S/C76H51N.C70H51N.C64H43N/c1-8-26-52(27-9-1)57-44-58(53-28-10-2-11-29-53)47-61(46-57)73-66-41-23-24-42-67(66)74(62-48-59(54-30-12-3-13-31-54)45-60(49-62)55-32-14-4-15-33-55)72-51-70-69(50-71(72)73)65-40-22-25-43-68(65)76(75(70)56-34-16-5-17-35-56)77(63-36-18-6-19-37-63)64-38-20-7-21-39-64;1-69(2)62-35-21-19-30-51(62)57-40-45(37-39-63(57)69)65-53-31-15-16-32-54(53)66(46-36-38-52-50-29-18-20-34-61(50)70(3,4)64(52)41-46)60-43-58-56(42-59(60)65)49-28-14-17-33-55(49)68(67(58)44-22-8-5-9-23-44)71(47-24-10-6-11-25-47)48-26-12-7-13-27-48;1-6-20-44(21-7-1)46-34-38-49(39-35-46)61-54-31-17-18-32-55(54)62(50-40-36-47(37-41-50)45-22-8-2-9-23-45)60-43-58-57(42-59(60)61)53-30-16-19-33-56(53)64(63(58)48-24-10-3-11-25-48)65(51-26-12-4-13-27-51)52-28-14-5-15-29-52/h1-51H;5-43H,1-4H3;1-43H
InChIKeyJICLKEBZNRTHSA-UHFFFAOYSA-N
XLogP58.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms213
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002710.49
LogP ≤ 558.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-10-(4-phenylphenyl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304244
N-(9,9-dimethylfluoren-2-yl)-N-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-[4-[4-[3-[10-[N-(9,9-dimethylfluoren-2-yl)-4-(3-phenylphenyl)anilino]phenanthren-9-yl]phenyl]phenyl]phenyl]anilino]phenanthren-9-yl]phenyl]-2-phenylphenyl]-10-phenylphenanthren-9-amine
CID 155305640
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 123220371
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-10-(3-phenylphenyl)phenanthren-9-amine
CID 155304597
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
N-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304446
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
3,6-dibromo-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-phenylanthracen-9-amine
CID 142733125

Frequently Asked Questions

What is the IUPAC name of 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine?
The IUPAC name of 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine (CID 158923268) is 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine.
What is the SMILES notation for 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine?
The canonical SMILES for 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(-c6ccccc6)c(N(c6ccccc6)c6ccccc6)c6ccccc6c5cc34)ccc21.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)c(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c3ccccc35)c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc5c(cc34)c(-c3ccccc3)c(N(c3ccccc3)c3ccccc3)c3ccccc35)cc2)cc1.
What is the InChIKey of 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine?
The InChIKey is JICLKEBZNRTHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H51N.C70H51N.C64H43N/c1-8-26-52(27-9-1)57-44-58(53-28-10-2-11-29-53)47-61(46-57)73-66-41-23-24-42-67(66)74(62-48-59(54-30-12-3-13-31-54)45-60(49-62)55-32-14-4-15-33-55)72-51-70-69(50-71(72)73)65-40-22-25-43-68(65)76(75(70)56-34-16-5-17-35-56)77(63-36-18-6-19-37-63)64-38-20-7-21-39-64;1-69(2)62-35-21-19-30-51(62)57-40-45(37-39-63(57)69)65-53-31-15-16-32-54(53)66(46-36-38-52-50-29-18-20-34-61(50)70(3,4)64(52)41-46)60-43-58-56(42-59(60)65)49-28-14-17-33-55(49)68(67(58)44-22-8-5-9-23-44)71(47-24-10-6-11-25-47)48-26-12-7-13-27-48;1-6-20-44(21-7-1)46-34-38-49(39-35-46)61-54-31-17-18-32-55(54)62(50-40-36-47(37-41-50)45-22-8-2-9-23-45)60-43-58-57(42-59(60)61)53-30-16-19-33-56(53)64(63(58)48-24-10-3-11-25-48)65(51-26-12-4-13-27-51)52-28-14-5-15-29-52/h1-51H;5-43H,1-4H3;1-43H.
What are the key properties of 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine?
8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine has a molecular weight of 2710.49 g/mol, XLogP of 58.93, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13-bis(3,5-diphenylphenyl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-N,N,6-triphenylbenzo[a]tetracen-5-amine;N,N,6-triphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracen-5-amine is sourced from PubChem (CID 158923268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).