N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine

C62H50N2 — CID 168744572

IUPACN,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)CC4CCC3C4)cc2)cc1
InChIInChI=1S/C62H50N2/c1-6-18-48(19-7-1)62(49-20-8-2-9-21-49)59-29-17-16-28-57(59)58-43-56(40-41-60(58)62)64(53-26-14-5-15-27-53)55-38-34-47(35-39-55)61(44-45-30-31-50(61)42-45)46-32-36-54(37-33-46)63(51-22-10-3-11-23-51)52-24-12-4-13-25-52/h1-29,32-41,43,45,50H,30-31,42,44H2
InChIKeyAVHDDLGTOKKSOA-UHFFFAOYSA-N
MW823.10 g/mol
LogP16.10
Rot. Bonds10

About N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine

N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine (PubChem CID 168744572) has the molecular formula C62H50N2 and a molecular weight of 823.10 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine.

Molecular Properties

Compound NameN,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine
PubChem CID168744572
Molecular FormulaC62H50N2
Molecular Weight823.10 g/mol
Exact Mass822.40
IUPAC NameN,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)CC4CCC3C4)cc2)cc1
InChIInChI=1S/C62H50N2/c1-6-18-48(19-7-1)62(49-20-8-2-9-21-49)59-29-17-16-28-57(59)58-43-56(40-41-60(58)62)64(53-26-14-5-15-27-53)55-38-34-47(35-39-55)61(44-45-30-31-50(61)42-45)46-32-36-54(37-33-46)63(51-22-10-3-11-23-51)52-24-12-4-13-25-52/h1-29,32-41,43,45,50H,30-31,42,44H2
InChIKeyAVHDDLGTOKKSOA-UHFFFAOYSA-N
XLogP16.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.10
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722805
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 166508560
N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170215903
N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 166508773
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9-methyl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 158414467
4-[2-chloro-3-(N-phenylanilino)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylanilino]benzonitrile
CID 167288748
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121423858

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine?
The IUPAC name of N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine (CID 168744572) is N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine.
What is the SMILES notation for N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine?
The canonical SMILES for N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine is c1ccc(N(c2ccccc2)c2ccc(C3(c4ccc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)CC4CCC3C4)cc2)cc1.
What is the InChIKey of N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine?
The InChIKey is AVHDDLGTOKKSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2/c1-6-18-48(19-7-1)62(49-20-8-2-9-21-49)59-29-17-16-28-57(59)58-43-56(40-41-60(58)62)64(53-26-14-5-15-27-53)55-38-34-47(35-39-55)61(44-45-30-31-50(61)42-45)46-32-36-54(37-33-46)63(51-22-10-3-11-23-51)52-24-12-4-13-25-52/h1-29,32-41,43,45,50H,30-31,42,44H2.
What are the key properties of N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine?
N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine has a molecular weight of 823.10 g/mol, XLogP of 16.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine is sourced from PubChem (CID 168744572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).