1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine

C72H56N2 — CID 177286692

IUPAC1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4-c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C72H56N2/c1-71(2)66-38-21-19-33-61(66)63-42-40-54(47-68(63)71)73(52-28-13-7-14-29-52)56-44-51(58-32-17-18-35-65(58)70-59(49-24-9-5-10-25-49)36-23-37-60(70)50-26-11-6-12-27-50)45-57(46-56)74(53-30-15-8-16-31-53)55-41-43-64-62-34-20-22-39-67(62)72(3,4)69(64)48-55/h5-48H,1-4H3
InChIKeyIUVUYJSKWAOOQQ-UHFFFAOYSA-N
MW949.25 g/mol
LogP19.91
Rot. Bonds10

About 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine

1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 177286692) has the molecular formula C72H56N2 and a molecular weight of 949.25 g/mol. Its IUPAC name is 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID177286692
Molecular FormulaC72H56N2
Molecular Weight949.25 g/mol
Exact Mass948.44
IUPAC Name1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4-c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21
InChIInChI=1S/C72H56N2/c1-71(2)66-38-21-19-33-61(66)63-42-40-54(47-68(63)71)73(52-28-13-7-14-29-52)56-44-51(58-32-17-18-35-65(58)70-59(49-24-9-5-10-25-49)36-23-37-60(70)50-26-11-6-12-27-50)45-57(46-56)74(53-30-15-8-16-31-53)55-41-43-64-62-34-20-22-39-67(62)72(3,4)69(64)48-55/h5-48H,1-4H3
InChIKeyIUVUYJSKWAOOQQ-UHFFFAOYSA-N
XLogP19.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.25
LogP ≤ 519.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286735
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 166906531
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
5-[4'-[3,5-bis(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 121361265
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[1-(2-phenylphenyl)dibenzofuran-2-yl]phenyl]fluoren-2-amine
CID 177281131

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine (CID 177286692) is 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(-c4ccccc4-c4c(-c5ccccc5)cccc4-c4ccccc4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc21.
What is the InChIKey of 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is IUVUYJSKWAOOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56N2/c1-71(2)66-38-21-19-33-61(66)63-42-40-54(47-68(63)71)73(52-28-13-7-14-29-52)56-44-51(58-32-17-18-35-65(58)70-59(49-24-9-5-10-25-49)36-23-37-60(70)50-26-11-6-12-27-50)45-57(46-56)74(53-30-15-8-16-31-53)55-41-43-64-62-34-20-22-39-67(62)72(3,4)69(64)48-55/h5-48H,1-4H3.
What are the key properties of 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 949.25 g/mol, XLogP of 19.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-[2-(2,6-diphenylphenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 177286692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).