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

C87H76N2 — CID 89356016

IUPACN-[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
SMILESCC1(C)C2=C(CCC(N(c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(N(c7ccc8c(c7)C(C)(C)C7=CC=CCC78)c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)ccc4-5)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)=C2)c2ccccc21
InChIInChI=1S/C87H76N2/c1-83(2)73-29-15-11-25-63(73)69-41-35-59(49-79(69)83)88(60-36-42-70-64-26-12-16-30-74(64)84(3,4)80(70)50-60)57-23-19-21-53(45-57)55-33-39-67-68-40-34-56(48-78(68)87(9,10)77(67)47-55)54-22-20-24-58(46-54)89(61-37-43-71-65-27-13-17-31-75(65)85(5,6)81(71)51-61)62-38-44-72-66-28-14-18-32-76(66)86(7,8)82(72)52-62/h11-27,29-35,37-41,43-52,66H,28,36,42H2,1-10H3
InChIKeyRYRSCHYUXVVFFL-UHFFFAOYSA-N
MW1149.58 g/mol
LogP23.23
Rot. Bonds8

About 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

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 (PubChem CID 89356016) has the molecular formula C87H76N2 and a molecular weight of 1149.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID89356016
Molecular FormulaC87H76N2
Molecular Weight1149.58 g/mol
Exact Mass1148.60
IUPAC NameN-[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
SMILESCC1(C)C2=C(CCC(N(c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(N(c7ccc8c(c7)C(C)(C)C7=CC=CCC78)c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)ccc4-5)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)=C2)c2ccccc21
InChIInChI=1S/C87H76N2/c1-83(2)73-29-15-11-25-63(73)69-41-35-59(49-79(69)83)88(60-36-42-70-64-26-12-16-30-74(64)84(3,4)80(70)50-60)57-23-19-21-53(45-57)55-33-39-67-68-40-34-56(48-78(68)87(9,10)77(67)47-55)54-22-20-24-58(46-54)89(61-37-43-71-65-27-13-17-31-75(65)85(5,6)81(71)51-61)62-38-44-72-66-28-14-18-32-76(66)86(7,8)82(72)52-62/h11-27,29-35,37-41,43-52,66H,28,36,42H2,1-10H3
InChIKeyRYRSCHYUXVVFFL-UHFFFAOYSA-N
XLogP23.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.58
LogP ≤ 523.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
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
9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
7-[10-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)-5,6-dihydrofluoren-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 89074355
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
4-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138529075
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 118065693
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
CID 167176882
CID 167176882
N-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 166694657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=C(CCC(N(c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cccc(N(c7ccc8c(c7)C(C)(C)C7=CC=CCC78)c7ccc8c(c7)C(C)(C)c7ccccc7-8)c6)ccc4-5)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)=C2)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is RYRSCHYUXVVFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H76N2/c1-83(2)73-29-15-11-25-63(73)69-41-35-59(49-79(69)83)88(60-36-42-70-64-26-12-16-30-74(64)84(3,4)80(70)50-60)57-23-19-21-53(45-57)55-33-39-67-68-40-34-56(48-78(68)87(9,10)77(67)47-55)54-22-20-24-58(46-54)89(61-37-43-71-65-27-13-17-31-75(65)85(5,6)81(71)51-61)62-38-44-72-66-28-14-18-32-76(66)86(7,8)82(72)52-62/h11-27,29-35,37-41,43-52,66H,28,36,42H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 1149.58 g/mol, XLogP of 23.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89356016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).