2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine

C238H182N6 — CID 159736025

IUPAC2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4cccc(-c5ccccc5)c4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4cccc(-c5ccccc5)c4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5cccc(-c6ccccc6)c5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5cccc(-c6ccccc6)c5)c4c3)cc21.c1ccc(N(c2ccc(-c3cc4c5ccccc5c(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)cc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C98H76N2.C70H46N2.C70H60N2/c1-95(2)85-37-19-15-33-73(85)77-47-41-69(57-89(77)95)99(70-42-48-78-74-34-16-20-38-86(74)96(3,4)90(78)58-70)67-45-51-81-83(55-67)93(65-31-23-29-63(53-65)61-25-11-9-12-26-61)82-52-46-68(56-84(82)94(81)66-32-24-30-64(54-66)62-27-13-10-14-28-62)100(71-43-49-79-75-35-17-21-39-87(75)97(5,6)91(79)59-71)72-44-50-80-76-36-18-22-40-88(76)98(7,8)92(80)60-72;1-3-21-51(22-4-1)71(69-43-49-19-7-9-25-55(49)57-27-15-17-33-63(57)69)53-39-35-47(36-40-53)65-45-67-62-32-14-12-30-60(62)66(46-68(67)61-31-13-11-29-59(61)65)48-37-41-54(42-38-48)72(52-23-5-2-6-24-52)70-44-50-20-8-10-26-56(50)58-28-16-18-34-64(58)70;1-69(2,3)55-33-37-59(38-34-55)71(57-29-15-9-16-30-57)61-41-43-63-65(47-61)67(53-27-19-25-51(45-53)49-21-11-7-12-22-49)64-44-42-62(48-66(64)68(63)54-28-20-26-52(46-54)50-23-13-8-14-24-50)72(58-31-17-10-18-32-58)60-39-35-56(36-40-60)70(4,5)6/h9-60H,1-8H3;1-46H;7-48H,1-6H3
InChIKeyNBVUWYVNGSPXJK-UHFFFAOYSA-N
MW3126.12 g/mol
LogP67.05
Rot. Bonds28

About 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine

2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine (PubChem CID 159736025) has the molecular formula C238H182N6 and a molecular weight of 3126.12 g/mol. Its IUPAC name is 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine
PubChem CID159736025
Molecular FormulaC238H182N6
Molecular Weight3126.12 g/mol
Exact Mass3123.44
IUPAC Name2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4cccc(-c5ccccc5)c4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4cccc(-c5ccccc5)c4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5cccc(-c6ccccc6)c5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5cccc(-c6ccccc6)c5)c4c3)cc21.c1ccc(N(c2ccc(-c3cc4c5ccccc5c(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)cc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C98H76N2.C70H46N2.C70H60N2/c1-95(2)85-37-19-15-33-73(85)77-47-41-69(57-89(77)95)99(70-42-48-78-74-34-16-20-38-86(74)96(3,4)90(78)58-70)67-45-51-81-83(55-67)93(65-31-23-29-63(53-65)61-25-11-9-12-26-61)82-52-46-68(56-84(82)94(81)66-32-24-30-64(54-66)62-27-13-10-14-28-62)100(71-43-49-79-75-35-17-21-39-87(75)97(5,6)91(79)59-71)72-44-50-80-76-36-18-22-40-88(76)98(7,8)92(80)60-72;1-3-21-51(22-4-1)71(69-43-49-19-7-9-25-55(49)57-27-15-17-33-63(57)69)53-39-35-47(36-40-53)65-45-67-62-32-14-12-30-60(62)66(46-68(67)61-31-13-11-29-59(61)65)48-37-41-54(42-38-48)72(52-23-5-2-6-24-52)70-44-50-20-8-10-26-56(50)58-28-16-18-34-64(58)70;1-69(2,3)55-33-37-59(38-34-55)71(57-29-15-9-16-30-57)61-41-43-63-65(47-61)67(53-27-19-25-51(45-53)49-21-11-7-12-22-49)64-44-42-62(48-66(64)68(63)54-28-20-26-52(46-54)50-23-13-8-14-24-50)72(58-31-17-10-18-32-58)60-39-35-56(36-40-60)70(4,5)6/h9-60H,1-8H3;1-46H;7-48H,1-6H3
InChIKeyNBVUWYVNGSPXJK-UHFFFAOYSA-N
XLogP67.05
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms244
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003126.12
LogP ≤ 567.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenanthren-9-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)phenanthren-9-amine
CID 162086645
N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304715
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine
CID 118175587
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthren-3-amine;N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenanthren-3-amine;N,10-diphenyl-N-[4-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenanthren-3-amine;methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N,10-diphenylphenanthren-3-amine
CID 158051801
N-(9,9-dimethylfluoren-2-yl)-7-phenanthren-9-yl-N-(4-phenylphenyl)triphenylen-2-amine
CID 134464892
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155303624
2-N,6-N-bis(4-tert-butylphenyl)-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine;9-naphthalen-1-yl-2-N,2-N,6-N,6-N,10-pentanaphthalen-2-ylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-2-ylanthracene-2,6-diamine
CID 159526206
9,9-dimethyl-N,N-bis(4-phenanthren-2-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 158135143
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
N-[3-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-(N-triphenylen-2-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 165054985
10-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-(4-phenylphenyl)phenanthren-2-amine
CID 177079830

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine?
The IUPAC name of 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine (CID 159736025) is 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine.
What is the SMILES notation for 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine?
The canonical SMILES for 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(-c4cccc(-c5ccccc5)c4)c4cc(N(c5ccccc5)c5ccc(C(C)(C)C)cc5)ccc4c(-c4cccc(-c5ccccc5)c4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(-c5cccc(-c6ccccc6)c5)c5cc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5c(-c5cccc(-c6ccccc6)c5)c4c3)cc21.c1ccc(N(c2ccc(-c3cc4c5ccccc5c(-c5ccc(N(c6ccccc6)c6cc7ccccc7c7ccccc67)cc5)cc4c4ccccc34)cc2)c2cc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine?
The InChIKey is NBVUWYVNGSPXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H76N2.C70H46N2.C70H60N2/c1-95(2)85-37-19-15-33-73(85)77-47-41-69(57-89(77)95)99(70-42-48-78-74-34-16-20-38-86(74)96(3,4)90(78)58-70)67-45-51-81-83(55-67)93(65-31-23-29-63(53-65)61-25-11-9-12-26-61)82-52-46-68(56-84(82)94(81)66-32-24-30-64(54-66)62-27-13-10-14-28-62)100(71-43-49-79-75-35-17-21-39-87(75)97(5,6)91(79)59-71)72-44-50-80-76-36-18-22-40-88(76)98(7,8)92(80)60-72;1-3-21-51(22-4-1)71(69-43-49-19-7-9-25-55(49)57-27-15-17-33-63(57)69)53-39-35-47(36-40-53)65-45-67-62-32-14-12-30-60(62)66(46-68(67)61-31-13-11-29-59(61)65)48-37-41-54(42-38-48)72(52-23-5-2-6-24-52)70-44-50-20-8-10-26-56(50)58-28-16-18-34-64(58)70;1-69(2,3)55-33-37-59(38-34-55)71(57-29-15-9-16-30-57)61-41-43-63-65(47-61)67(53-27-19-25-51(45-53)49-21-11-7-12-22-49)64-44-42-62(48-66(64)68(63)54-28-20-26-52(46-54)50-23-13-8-14-24-50)72(58-31-17-10-18-32-58)60-39-35-56(36-40-60)70(4,5)6/h9-60H,1-8H3;1-46H;7-48H,1-6H3.
What are the key properties of 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine?
2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine has a molecular weight of 3126.12 g/mol, XLogP of 67.05, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis(4-tert-butylphenyl)-2-N,6-N-diphenyl-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine;N-[4-[12-[4-(N-phenanthren-9-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylphenanthren-9-amine;2-N,2-N,6-N,6-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,10-bis(3-phenylphenyl)anthracene-2,6-diamine is sourced from PubChem (CID 159736025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).