N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine

C101H94N2 — CID 89356014

IUPACN-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc(N(C2=CCCC(c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7cccc(N(C8=CCC(C(C)(C)C)C=C8)C8=CC9=C(CC8)c8ccccc8C9(C)C)c7)c(-c7ccccc7)c6)ccc4-5)cc3-c3ccccc3)=C2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C101H94N2/c1-97(2,3)73-41-45-75(46-42-73)102(79-49-55-87-83-33-19-21-35-91(83)99(7,8)95(87)63-79)77-31-23-29-71(57-77)81-51-37-67(59-89(81)65-25-15-13-16-26-65)69-39-53-85-86-54-40-70(62-94(86)101(11,12)93(85)61-69)68-38-52-82(90(60-68)66-27-17-14-18-28-66)72-30-24-32-78(58-72)103(76-47-43-74(44-48-76)98(4,5)6)80-50-56-88-84-34-20-22-36-92(84)100(9,10)96(88)64-80/h13-23,25-29,31-41,43-48,50-54,56-64,73H,24,30,42,49,55H2,1-12H3
InChIKeyAXJAIARLHBOETB-UHFFFAOYSA-N
MW1335.88 g/mol
LogP27.57
Rot. Bonds12

About N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine

N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 89356014) has the molecular formula C101H94N2 and a molecular weight of 1335.88 g/mol. Its IUPAC name is N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID89356014
Molecular FormulaC101H94N2
Molecular Weight1335.88 g/mol
Exact Mass1334.74
IUPAC NameN-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc(N(C2=CCCC(c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7cccc(N(C8=CCC(C(C)(C)C)C=C8)C8=CC9=C(CC8)c8ccccc8C9(C)C)c7)c(-c7ccccc7)c6)ccc4-5)cc3-c3ccccc3)=C2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C101H94N2/c1-97(2,3)73-41-45-75(46-42-73)102(79-49-55-87-83-33-19-21-35-91(83)99(7,8)95(87)63-79)77-31-23-29-71(57-77)81-51-37-67(59-89(81)65-25-15-13-16-26-65)69-39-53-85-86-54-40-70(62-94(86)101(11,12)93(85)61-69)68-38-52-82(90(60-68)66-27-17-14-18-28-66)72-30-24-32-78(58-72)103(76-47-43-74(44-48-76)98(4,5)6)80-50-56-88-84-34-20-22-36-92(84)100(9,10)96(88)64-80/h13-23,25-29,31-41,43-48,50-54,56-64,73H,24,30,42,49,55H2,1-12H3
InChIKeyAXJAIARLHBOETB-UHFFFAOYSA-N
XLogP27.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001335.88
LogP ≤ 527.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Related Compounds

N-[3-[7-[3-[(9,9-dimethyl-4b,5-dihydrofluoren-2-yl)-(9,9-dimethylfluoren-2-yl)amino]phenyl]-9,9-dimethylfluoren-2-yl]phenyl]-N-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 89356016
N-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 166694657
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 134320783
N-[4-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]-N-[3-(4-tert-butylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 158277620
9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 123266293
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159398373
N-[5-[4-[4-[3-(N-cyclohexa-1,3-dien-1-ylanilino)cyclohexa-1,3-dien-1-yl]phenyl]cyclohexa-1,3-dien-1-yl]cyclohexa-1,5-dien-1-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 89356008
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine (CID 89356014) is N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is CC(C)(C)c1ccc(N(C2=CCCC(c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc(-c7cccc(N(C8=CCC(C(C)(C)C)C=C8)C8=CC9=C(CC8)c8ccccc8C9(C)C)c7)c(-c7ccccc7)c6)ccc4-5)cc3-c3ccccc3)=C2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is AXJAIARLHBOETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H94N2/c1-97(2,3)73-41-45-75(46-42-73)102(79-49-55-87-83-33-19-21-35-91(83)99(7,8)95(87)63-79)77-31-23-29-71(57-77)81-51-37-67(59-89(81)65-25-15-13-16-26-65)69-39-53-85-86-54-40-70(62-94(86)101(11,12)93(85)61-69)68-38-52-82(90(60-68)66-27-17-14-18-28-66)72-30-24-32-78(58-72)103(76-47-43-74(44-48-76)98(4,5)6)80-50-56-88-84-34-20-22-36-92(84)100(9,10)96(88)64-80/h13-23,25-29,31-41,43-48,50-54,56-64,73H,24,30,42,49,55H2,1-12H3.
What are the key properties of N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine?
N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine has a molecular weight of 1335.88 g/mol, XLogP of 27.57, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[7-[4-[3-[(4-tert-butylcyclohexa-1,5-dien-1-yl)-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)amino]phenyl]-3-phenylphenyl]-9,9-dimethylfluoren-2-yl]-2-phenylphenyl]cyclohexa-1,5-dien-1-yl]-N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 89356014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).