N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine

C82H56N2 — CID 122448831

IUPACN-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7ccccc7c6)cc5)cc4)c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C82H56N2/c1-5-25-63(26-6-1)81(64-27-7-2-8-28-64)77-35-19-17-33-73(77)75-51-49-71(55-79(75)81)83(69-47-41-57-21-13-15-23-61(57)53-69)67-43-37-59(38-44-67)60-39-45-68(46-40-60)84(70-48-42-58-22-14-16-24-62(58)54-70)72-50-52-76-74-34-18-20-36-78(74)82(80(76)56-72,65-29-9-3-10-30-65)66-31-11-4-12-32-66/h1-56H
InChIKeyVSKWHPHYPSMJGQ-UHFFFAOYSA-N
MW1069.36 g/mol
LogP21.33
Rot. Bonds11

About N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine

N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine (PubChem CID 122448831) has the molecular formula C82H56N2 and a molecular weight of 1069.36 g/mol. Its IUPAC name is N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
PubChem CID122448831
Molecular FormulaC82H56N2
Molecular Weight1069.36 g/mol
Exact Mass1068.44
IUPAC NameN-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7ccccc7c6)cc5)cc4)c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C82H56N2/c1-5-25-63(26-6-1)81(64-27-7-2-8-28-64)77-35-19-17-33-73(77)75-51-49-71(55-79(75)81)83(69-47-41-57-21-13-15-23-61(57)53-69)67-43-37-59(38-44-67)60-39-45-68(46-40-60)84(70-48-42-58-22-14-16-24-62(58)54-70)72-50-52-76-74-34-18-20-36-78(74)82(80(76)56-72,65-29-9-3-10-30-65)66-31-11-4-12-32-66/h1-56H
InChIKeyVSKWHPHYPSMJGQ-UHFFFAOYSA-N
XLogP21.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.36
LogP ≤ 521.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100
N-naphthalen-2-yl-N-(4-phenanthren-3-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 142589076
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121423874
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine (CID 122448831) is N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7ccccc7c6)cc5)cc4)c4ccc5ccccc5c4)cc32)cc1.
What is the InChIKey of N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine?
The InChIKey is VSKWHPHYPSMJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N2/c1-5-25-63(26-6-1)81(64-27-7-2-8-28-64)77-35-19-17-33-73(77)75-51-49-71(55-79(75)81)83(69-47-41-57-21-13-15-23-61(57)53-69)67-43-37-59(38-44-67)60-39-45-68(46-40-60)84(70-48-42-58-22-14-16-24-62(58)54-70)72-50-52-76-74-34-18-20-36-78(74)82(80(76)56-72,65-29-9-3-10-30-65)66-31-11-4-12-32-66/h1-56H.
What are the key properties of N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine?
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine has a molecular weight of 1069.36 g/mol, XLogP of 21.33, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 122448831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).