N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine

C65H43NS — CID 168846173

IUPACN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C65H43NS/c1-3-19-50(20-4-1)65(51-21-5-2-6-22-51)61-27-11-9-24-57(61)58-40-38-54(43-62(58)65)66(53-36-31-45(32-37-53)48-33-39-60-59-25-10-12-28-63(59)67-64(60)42-48)52-34-29-44(30-35-52)47-17-13-18-49(41-47)56-26-14-16-46-15-7-8-23-55(46)56/h1-43H
InChIKeyQGRQUAGDTGUJNW-UHFFFAOYSA-N
MW870.13 g/mol
LogP18.04
Rot. Bonds8

About N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine

N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine (PubChem CID 168846173) has the molecular formula C65H43NS and a molecular weight of 870.13 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
PubChem CID168846173
Molecular FormulaC65H43NS
Molecular Weight870.13 g/mol
Exact Mass869.31
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc32)cc1
InChIInChI=1S/C65H43NS/c1-3-19-50(20-4-1)65(51-21-5-2-6-22-51)61-27-11-9-24-57(61)58-40-38-54(43-62(58)65)66(53-36-31-45(32-37-53)48-33-39-60-59-25-10-12-28-63(59)67-64(60)42-48)52-34-29-44(30-35-52)47-17-13-18-49(41-47)56-26-14-16-46-15-7-8-23-55(46)56/h1-43H
InChIKeyQGRQUAGDTGUJNW-UHFFFAOYSA-N
XLogP18.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.13
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 168767225
N-(9,9-diphenylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-9-(2-phenylphenyl)dibenzothiophen-3-amine
CID 176630483
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171452406
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324649
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 168807272

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine (CID 168846173) is N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc(-c6cccc7ccccc67)c5)cc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)cc32)cc1.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine?
The InChIKey is QGRQUAGDTGUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NS/c1-3-19-50(20-4-1)65(51-21-5-2-6-22-51)61-27-11-9-24-57(61)58-40-38-54(43-62(58)65)66(53-36-31-45(32-37-53)48-33-39-60-59-25-10-12-28-63(59)67-64(60)42-48)52-34-29-44(30-35-52)47-17-13-18-49(41-47)56-26-14-16-46-15-7-8-23-55(46)56/h1-43H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine?
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine has a molecular weight of 870.13 g/mol, XLogP of 18.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine is sourced from PubChem (CID 168846173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).