2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine

C99H80N2 — CID 20759573

IUPAC2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)ccc5-6)c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C99H80N2/c1-95(2)85-51-65(61-23-15-11-16-24-61)31-41-75(85)79-45-35-69(55-89(79)95)100(70-36-46-80-76-42-32-66(62-25-17-12-18-26-62)52-86(76)96(3,4)90(80)56-70)73-39-49-83-84-50-40-74(60-94(84)99(9,10)93(83)59-73)101(71-37-47-81-77-43-33-67(63-27-19-13-20-28-63)53-87(77)97(5,6)91(81)57-71)72-38-48-82-78-44-34-68(64-29-21-14-22-30-64)54-88(78)98(7,8)92(82)58-72/h11-60H,1-10H3
InChIKeyUYENUUVJLZIBEE-UHFFFAOYSA-N
MW1297.74 g/mol
LogP26.83
Rot. Bonds10

About 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine

2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine (PubChem CID 20759573) has the molecular formula C99H80N2 and a molecular weight of 1297.74 g/mol. Its IUPAC name is 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
PubChem CID20759573
Molecular FormulaC99H80N2
Molecular Weight1297.74 g/mol
Exact Mass1296.63
IUPAC Name2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)ccc5-6)c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C99H80N2/c1-95(2)85-51-65(61-23-15-11-16-24-61)31-41-75(85)79-45-35-69(55-89(79)95)100(70-36-46-80-76-42-32-66(62-25-17-12-18-26-62)52-86(76)96(3,4)90(80)56-70)73-39-49-83-84-50-40-74(60-94(84)99(9,10)93(83)59-73)101(71-37-47-81-77-43-33-67(63-27-19-13-20-28-63)53-87(77)97(5,6)91(81)57-71)72-38-48-82-78-44-34-68(64-29-21-14-22-30-64)54-88(78)98(7,8)92(82)58-72/h11-60H,1-10H3
InChIKeyUYENUUVJLZIBEE-UHFFFAOYSA-N
XLogP26.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001297.74
LogP ≤ 526.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118428411
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500262
9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428426
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine?
The IUPAC name of 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine (CID 20759573) is 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine?
The canonical SMILES for 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)ccc5-6)c5ccc6c(c5)C(C)(C)c5cc(-c7ccccc7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine?
The InChIKey is UYENUUVJLZIBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H80N2/c1-95(2)85-51-65(61-23-15-11-16-24-61)31-41-75(85)79-45-35-69(55-89(79)95)100(70-36-46-80-76-42-32-66(62-25-17-12-18-26-62)52-86(76)96(3,4)90(80)56-70)73-39-49-83-84-50-40-74(60-94(84)99(9,10)93(83)59-73)101(71-37-47-81-77-43-33-67(63-27-19-13-20-28-63)53-87(77)97(5,6)91(81)57-71)72-38-48-82-78-44-34-68(64-29-21-14-22-30-64)54-88(78)98(7,8)92(82)58-72/h11-60H,1-10H3.
What are the key properties of 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine?
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine has a molecular weight of 1297.74 g/mol, XLogP of 26.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine is sourced from PubChem (CID 20759573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).