N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine

C74H49N — CID 121423858

IUPACN-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C74H49N/c1-5-21-50(22-6-1)53-45-54(51-23-7-2-8-24-51)47-55(46-53)52-37-39-58(40-38-52)75(59-41-43-71-65(48-59)63-31-15-17-33-67(63)73(71,56-25-9-3-10-26-56)57-27-11-4-12-28-57)60-42-44-72-66(49-60)64-32-16-20-36-70(64)74(72)68-34-18-13-29-61(68)62-30-14-19-35-69(62)74/h1-49H
InChIKeyFMSICACLPVJHPK-UHFFFAOYSA-N
MW952.21 g/mol
LogP18.86
Rot. Bonds8

About N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine

N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine (PubChem CID 121423858) has the molecular formula C74H49N and a molecular weight of 952.21 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
PubChem CID121423858
Molecular FormulaC74H49N
Molecular Weight952.21 g/mol
Exact Mass951.39
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C74H49N/c1-5-21-50(22-6-1)53-45-54(51-23-7-2-8-24-51)47-55(46-53)52-37-39-58(40-38-52)75(59-41-43-71-65(48-59)63-31-15-17-33-67(63)73(71,56-25-9-3-10-26-56)57-27-11-4-12-28-57)60-42-44-72-66(49-60)64-32-16-20-36-70(64)74(72)68-34-18-13-29-61(68)62-30-14-19-35-69(62)74/h1-49H
InChIKeyFMSICACLPVJHPK-UHFFFAOYSA-N
XLogP18.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.21
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,9,9-triphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 146540179
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine;N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 161038033
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118155143
4-N-[9-(6-bicyclo[3.1.0]hexa-1(6),2,4-trienyl)-9-phenylspiro[anthracene-10,9'-fluorene]-3'-yl]-1-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667092
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-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298464
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine (CID 121423858) is N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
The InChIKey is FMSICACLPVJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N/c1-5-21-50(22-6-1)53-45-54(51-23-7-2-8-24-51)47-55(46-53)52-37-39-58(40-38-52)75(59-41-43-71-65(48-59)63-31-15-17-33-67(63)73(71,56-25-9-3-10-26-56)57-27-11-4-12-28-57)60-42-44-72-66(49-60)64-32-16-20-36-70(64)74(72)68-34-18-13-29-61(68)62-30-14-19-35-69(62)74/h1-49H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine?
N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine has a molecular weight of 952.21 g/mol, XLogP of 18.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine is sourced from PubChem (CID 121423858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).