1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine

C64H51N3 — CID 177117407

IUPAC1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
SMILESCc1cccc2c1-c1ccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc1C2(C)C
InChIInChI=1S/C64H51N3/c1-46-22-21-34-60-63(46)59-41-40-54(45-61(59)64(60,2)3)67(62-35-20-19-33-58(62)49-38-36-48(37-39-49)47-23-9-4-10-24-47)57-43-55(65(50-25-11-5-12-26-50)51-27-13-6-14-28-51)42-56(44-57)66(52-29-15-7-16-30-52)53-31-17-8-18-32-53/h4-45H,1-3H3
InChIKeyBKAUTYQOBMRZQL-UHFFFAOYSA-N
MW862.13 g/mol
LogP18.04
Rot. Bonds11

About 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine

1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine (PubChem CID 177117407) has the molecular formula C64H51N3 and a molecular weight of 862.13 g/mol. Its IUPAC name is 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine.

Molecular Properties

Compound Name1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
PubChem CID177117407
Molecular FormulaC64H51N3
Molecular Weight862.13 g/mol
Exact Mass861.41
IUPAC Name1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
SMILESCc1cccc2c1-c1ccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc1C2(C)C
InChIInChI=1S/C64H51N3/c1-46-22-21-34-60-63(46)59-41-40-54(45-61(59)64(60,2)3)67(62-35-20-19-33-58(62)49-38-36-48(37-39-49)47-23-9-4-10-24-47)57-43-55(65(50-25-11-5-12-26-50)51-27-13-6-14-28-51)42-56(44-57)66(52-29-15-7-16-30-52)53-31-17-8-18-32-53/h4-45H,1-3H3
InChIKeyBKAUTYQOBMRZQL-UHFFFAOYSA-N
XLogP18.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.13
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine with MolForge

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Related Compounds

5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
CID 171741066
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
1-N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-1-N,3-N,5-triphenyl-3-N-(2-phenylphenyl)benzene-1,3-diamine
CID 170690165
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 176611544
7,7-dimethyl-1-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]phenalen-9-amine
CID 167232028
10-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-10-N-phenyl-2-N-(2-phenylphenyl)-2-N-(4-phenylphenyl)indeno[1,2-b]fluorene-2,10-diamine
CID 138462008
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-phenyl-4-N-(2-phenylphenyl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915496
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 155623488
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
1-N,1-N,5-N,5-N-tetraphenyl-3-N-(4-phenylphenyl)-3-N-(5,7,9,9-tetramethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117455
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[4-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 177286731

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine?
The IUPAC name of 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine (CID 177117407) is 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine.
What is the SMILES notation for 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine?
The canonical SMILES for 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine is Cc1cccc2c1-c1ccc(N(c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccccc3-c3ccc(-c4ccccc4)cc3)cc1C2(C)C.
What is the InChIKey of 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine?
The InChIKey is BKAUTYQOBMRZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H51N3/c1-46-22-21-34-60-63(46)59-41-40-54(45-61(59)64(60,2)3)67(62-35-20-19-33-58(62)49-38-36-48(37-39-49)47-23-9-4-10-24-47)57-43-55(65(50-25-11-5-12-26-50)51-27-13-6-14-28-51)42-56(44-57)66(52-29-15-7-16-30-52)53-31-17-8-18-32-53/h4-45H,1-3H3.
What are the key properties of 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine?
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine has a molecular weight of 862.13 g/mol, XLogP of 18.04, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine is sourced from PubChem (CID 177117407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).