2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine

C75H56N2 — CID 23561352

IUPAC2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C75H56N2/c1-75(2)73-51-69(76(65-29-17-7-18-30-65)67-37-33-57(34-38-67)63-47-59(53-21-9-3-10-22-53)45-60(48-63)54-23-11-4-12-24-54)41-43-71(73)72-44-42-70(52-74(72)75)77(66-31-19-8-20-32-66)68-39-35-58(36-40-68)64-49-61(55-25-13-5-14-26-55)46-62(50-64)56-27-15-6-16-28-56/h3-52H,1-2H3
InChIKeyIFOMZIVNLJAXQP-UHFFFAOYSA-N
MW985.29 g/mol
LogP20.93
Rot. Bonds12

About 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine

2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 23561352) has the molecular formula C75H56N2 and a molecular weight of 985.29 g/mol. Its IUPAC name is 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID23561352
Molecular FormulaC75H56N2
Molecular Weight985.29 g/mol
Exact Mass984.44
IUPAC Name2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21
InChIInChI=1S/C75H56N2/c1-75(2)73-51-69(76(65-29-17-7-18-30-65)67-37-33-57(34-38-67)63-47-59(53-21-9-3-10-22-53)45-60(48-63)54-23-11-4-12-24-54)41-43-71(73)72-44-42-70(52-74(72)75)77(66-31-19-8-20-32-66)68-39-35-58(36-40-68)64-49-61(55-25-13-5-14-26-55)46-62(50-64)56-27-15-6-16-28-56/h3-52H,1-2H3
InChIKeyIFOMZIVNLJAXQP-UHFFFAOYSA-N
XLogP20.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.29
LogP ≤ 520.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
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-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 23561352) is 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)cc21.
What is the InChIKey of 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is IFOMZIVNLJAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H56N2/c1-75(2)73-51-69(76(65-29-17-7-18-30-65)67-37-33-57(34-38-67)63-47-59(53-21-9-3-10-22-53)45-60(48-63)54-23-11-4-12-24-54)41-43-71(73)72-44-42-70(52-74(72)75)77(66-31-19-8-20-32-66)68-39-35-58(36-40-68)64-49-61(55-25-13-5-14-26-55)46-62(50-64)56-27-15-6-16-28-56/h3-52H,1-2H3.
What are the key properties of 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine?
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 985.29 g/mol, XLogP of 20.93, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 23561352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).