N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine

C68H45NO — CID 170240655

IUPACN-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2cc3c(cc2-c2ccccc2)C2(c4ccccc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C68H45NO/c1-6-22-46(23-7-1)57-44-64-66(45-58(57)47-24-8-2-9-25-47)70-65-37-21-20-36-61(65)68(64)60-35-19-17-33-54(60)56-41-39-52(43-63(56)68)69(50-30-14-5-15-31-50)51-38-40-55-53-32-16-18-34-59(53)67(62(55)42-51,48-26-10-3-11-27-48)49-28-12-4-13-29-49/h1-45H
InChIKeyKLYVYCUNGPTXGO-UHFFFAOYSA-N
MW892.11 g/mol
LogP17.32
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine

N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 170240655) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID170240655
Molecular FormulaC68H45NO
Molecular Weight892.11 g/mol
Exact Mass891.35
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc(-c2cc3c(cc2-c2ccccc2)C2(c4ccccc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C68H45NO/c1-6-22-46(23-7-1)57-44-64-66(45-58(57)47-24-8-2-9-25-47)70-65-37-21-20-36-61(65)68(64)60-35-19-17-33-54(60)56-41-39-52(43-63(56)68)69(50-30-14-5-15-31-50)51-38-40-55-53-32-16-18-34-59(53)67(62(55)42-51,48-26-10-3-11-27-48)49-28-12-4-13-29-49/h1-45H
InChIKeyKLYVYCUNGPTXGO-UHFFFAOYSA-N
XLogP17.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.11
LogP ≤ 517.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
2',3'-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240643
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-(3,4-diphenylphenyl)-N-(3-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167177152
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-(4-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)fluoren-2-amine
CID 174295753
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240652

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine (CID 170240655) is N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc(-c2cc3c(cc2-c2ccccc2)C2(c4ccccc4O3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is KLYVYCUNGPTXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-6-22-46(23-7-1)57-44-64-66(45-58(57)47-24-8-2-9-25-47)70-65-37-21-20-36-61(65)68(64)60-35-19-17-33-54(60)56-41-39-52(43-63(56)68)69(50-30-14-5-15-31-50)51-38-40-55-53-32-16-18-34-59(53)67(62(55)42-51,48-26-10-3-11-27-48)49-28-12-4-13-29-49/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 892.11 g/mol, XLogP of 17.32, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 170240655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).