N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine

C68H47NO — CID 142481157

IUPACN-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESC1=Cc2oc3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c3c2CC1
InChIInChI=1S/C68H47NO/c1-4-19-46(20-5-1)47-35-39-51(40-36-47)69(52-41-37-48(38-42-52)54-27-18-34-65-66(54)57-26-11-17-33-64(57)70-65)53-43-44-56-55-25-10-12-28-58(55)68(63(56)45-53)61-31-15-13-29-59(61)67(49-21-6-2-7-22-49,50-23-8-3-9-24-50)60-30-14-16-32-62(60)68/h1-10,12-25,27-45H,11,26H2
InChIKeyARHPAWOEQAVLDP-UHFFFAOYSA-N
MW894.13 g/mol
LogP17.26
Rot. Bonds7

About N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine

N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine (PubChem CID 142481157) has the molecular formula C68H47NO and a molecular weight of 894.13 g/mol. Its IUPAC name is N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
PubChem CID142481157
Molecular FormulaC68H47NO
Molecular Weight894.13 g/mol
Exact Mass893.37
IUPAC NameN-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
SMILESC1=Cc2oc3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c3c2CC1
InChIInChI=1S/C68H47NO/c1-4-19-46(20-5-1)47-35-39-51(40-36-47)69(52-41-37-48(38-42-52)54-27-18-34-65-66(54)57-26-11-17-33-64(57)70-65)53-43-44-56-55-25-10-12-28-58(55)68(63(56)45-53)61-31-15-13-29-59(61)67(49-21-6-2-7-22-49,50-23-8-3-9-24-50)60-30-14-16-32-62(60)68/h1-10,12-25,27-45H,11,26H2
InChIKeyARHPAWOEQAVLDP-UHFFFAOYSA-N
XLogP17.26
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.13
LogP ≤ 517.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-(4-dibenzofuran-2-ylphenyl)-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 122675340
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 156826935
4-[3-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N,N-diphenylaniline
CID 142481023
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423673

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The IUPAC name of N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine (CID 142481157) is N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The canonical SMILES for N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine is C1=Cc2oc3cccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6C(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c3c2CC1.
What is the InChIKey of N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
The InChIKey is ARHPAWOEQAVLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NO/c1-4-19-46(20-5-1)47-35-39-51(40-36-47)69(52-41-37-48(38-42-52)54-27-18-34-65-66(54)57-26-11-17-33-64(57)70-65)53-43-44-56-55-25-10-12-28-58(55)68(63(56)45-53)61-31-15-13-29-59(61)67(49-21-6-2-7-22-49,50-23-8-3-9-24-50)60-30-14-16-32-62(60)68/h1-10,12-25,27-45H,11,26H2.
What are the key properties of N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine?
N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 894.13 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 142481157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).