N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline

C172H131N3 — CID 163838699

IUPACN,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)ccc2C1(C)C.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2cccc(-c3ccc4c(c3)-c3ccccc3C(c3ccccc3)(c3ccccc3)C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/2C62H45N.C48H41N/c1-7-24-46(25-8-1)55-38-20-22-41-60(55)63(53-35-17-6-18-36-53)54-37-23-26-47(44-54)48-42-43-59-57(45-48)56-39-19-21-40-58(56)61(49-27-9-2-10-28-49,50-29-11-3-12-30-50)62(59,51-31-13-4-14-32-51)52-33-15-5-16-34-52;1-7-21-46(22-8-1)47-35-40-55(41-36-47)63(54-31-17-6-18-32-54)56-42-37-48(38-43-56)49-39-44-60-58(45-49)57-33-19-20-34-59(57)61(50-23-9-2-10-24-50,51-25-11-3-12-26-51)62(60,52-27-13-4-14-28-52)53-29-15-5-16-30-53;1-47(2)45-27-25-36(34-17-9-5-10-18-34)32-43(45)44-33-37(26-28-46(44)48(47,3)4)39-29-38(35-19-11-6-12-20-35)30-42(31-39)49(40-21-13-7-14-22-40)41-23-15-8-16-24-41/h2*1-45H;5-33H,1-4H3
InChIKeyOKARKBGHXWXGBF-UHFFFAOYSA-N
MW2239.96 g/mol
LogP45.07
Rot. Bonds24

About N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline

N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline (PubChem CID 163838699) has the molecular formula C172H131N3 and a molecular weight of 2239.96 g/mol. Its IUPAC name is N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline.

Molecular Properties

Compound NameN,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
PubChem CID163838699
Molecular FormulaC172H131N3
Molecular Weight2239.96 g/mol
Exact Mass2238.03
IUPAC NameN,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)ccc2C1(C)C.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2cccc(-c3ccc4c(c3)-c3ccccc3C(c3ccccc3)(c3ccccc3)C4(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/2C62H45N.C48H41N/c1-7-24-46(25-8-1)55-38-20-22-41-60(55)63(53-35-17-6-18-36-53)54-37-23-26-47(44-54)48-42-43-59-57(45-48)56-39-19-21-40-58(56)61(49-27-9-2-10-28-49,50-29-11-3-12-30-50)62(59,51-31-13-4-14-32-51)52-33-15-5-16-34-52;1-7-21-46(22-8-1)47-35-40-55(41-36-47)63(54-31-17-6-18-32-54)56-42-37-48(38-43-56)49-39-44-60-58(45-49)57-33-19-20-34-59(57)61(50-23-9-2-10-24-50,51-25-11-3-12-26-51)62(60,52-27-13-4-14-28-52)53-29-15-5-16-30-53;1-47(2)45-27-25-36(34-17-9-5-10-18-34)32-43(45)44-33-37(26-28-46(44)48(47,3)4)39-29-38(35-19-11-6-12-20-35)30-42(31-39)49(40-21-13-7-14-22-40)41-23-15-8-16-24-41/h2*1-45H;5-33H,1-4H3
InChIKeyOKARKBGHXWXGBF-UHFFFAOYSA-N
XLogP45.07
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002239.96
LogP ≤ 545.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline with MolForge

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Related Compounds

N-phenyl-N-[3-(3-phenylphenyl)phenyl]-2-(9,9,10,10-tetramethylphenanthren-2-yl)aniline
CID 176764801
N-phenyl-N-[3-(9,9,10,10-tetramethylphenanthren-3-yl)phenyl]-2-triphenylen-2-ylaniline
CID 176764742
N,3-diphenyl-N-[3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)phenyl]aniline
CID 163502373
N,N-diphenyl-3-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline
CID 163966950
N-[4-(9-phenylfluoren-9-yl)phenyl]-N,3-bis(4-phenylphenyl)aniline;2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]aniline
CID 158825710
N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121423779
N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenyl-6-(3-phenylphenyl)phenanthren-2-amine
CID 163615776
7-[4-[3-(N-[9,9-dimethyl-6-[3-[4-[9-(4-methylphenyl)-9-phenyl-7-(4-phenyl-N-(3-phenylphenyl)anilino)fluoren-2-yl]phenyl]phenyl]fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)fluoren-2-amine
CID 137443934
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
9,9-dimethyl-N-[3-[7-naphthalen-1-yl-9-phenyl-9-(3-phenylphenyl)fluoren-3-yl]phenyl]-N-(2-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-phenyl-5-[9-phenyl-9-(3-phenylphenyl)fluoren-3-yl]phenyl]fluoren-2-amine;N-[4-[7,9-diphenyl-9-(3-phenylphenyl)fluoren-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 163747482
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline?
The IUPAC name of N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline (CID 163838699) is N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline.
What is the SMILES notation for N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline?
The canonical SMILES for N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)ccc2C1(C)C.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C(c4ccccc4)(c4ccccc4)C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2N(c2ccccc2)c2cccc(-c3ccc4c(c3)-c3ccccc3C(c3ccccc3)(c3ccccc3)C4(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline?
The InChIKey is OKARKBGHXWXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H45N.C48H41N/c1-7-24-46(25-8-1)55-38-20-22-41-60(55)63(53-35-17-6-18-36-53)54-37-23-26-47(44-54)48-42-43-59-57(45-48)56-39-19-21-40-58(56)61(49-27-9-2-10-28-49,50-29-11-3-12-30-50)62(59,51-31-13-4-14-32-51)52-33-15-5-16-34-52;1-7-21-46(22-8-1)47-35-40-55(41-36-47)63(54-31-17-6-18-32-54)56-42-37-48(38-43-56)49-39-44-60-58(45-49)57-33-19-20-34-59(57)61(50-23-9-2-10-24-50,51-25-11-3-12-26-51)62(60,52-27-13-4-14-28-52)53-29-15-5-16-30-53;1-47(2)45-27-25-36(34-17-9-5-10-18-34)32-43(45)44-33-37(26-28-46(44)48(47,3)4)39-29-38(35-19-11-6-12-20-35)30-42(31-39)49(40-21-13-7-14-22-40)41-23-15-8-16-24-41/h2*1-45H;5-33H,1-4H3.
What are the key properties of N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline?
N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline has a molecular weight of 2239.96 g/mol, XLogP of 45.07, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-[3-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,4-diphenyl-N-[4-(9,9,10,10-tetraphenylphenanthren-3-yl)phenyl]aniline;N,N,3-triphenyl-5-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)aniline is sourced from PubChem (CID 163838699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).