N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine

C61H39NO — CID 171401543

IUPACN,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4c(cc6oc7ccccc7c6c4-c4ccccc4)C54c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C61H39NO/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-34-46(35-33-43)62(45-20-8-3-9-21-45)47-36-37-54-51(38-47)59-55(61(54)52-25-13-10-22-48(52)49-23-11-14-26-53(49)61)39-57-60(50-24-12-15-27-56(50)63-57)58(59)44-18-6-2-7-19-44/h1-39H
InChIKeyMDJCIIFVKKECKQ-UHFFFAOYSA-N
MW801.99 g/mol
LogP16.40
Rot. Bonds6

About N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine

N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine (PubChem CID 171401543) has the molecular formula C61H39NO and a molecular weight of 801.99 g/mol. Its IUPAC name is N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine.

Molecular Properties

Compound NameN,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
PubChem CID171401543
Molecular FormulaC61H39NO
Molecular Weight801.99 g/mol
Exact Mass801.30
IUPAC NameN,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4c(cc6oc7ccccc7c6c4-c4ccccc4)C54c5ccccc5-c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C61H39NO/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-34-46(35-33-43)62(45-20-8-3-9-21-45)47-36-37-54-51(38-47)59-55(61(54)52-25-13-10-22-48(52)49-23-11-14-26-53(49)61)39-57-60(50-24-12-15-27-56(50)63-57)58(59)44-18-6-2-7-19-44/h1-39H
InChIKeyMDJCIIFVKKECKQ-UHFFFAOYSA-N
XLogP16.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.99
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401856
N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
CID 171401702
12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
CID 171402026
N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
CID 171402013
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-9-amine
CID 171401843
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
7'-phenyl-N,N-bis(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504195
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-9-amine
CID 171402240
7,7-dimethyl-N-naphthalen-2-yl-12-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-10-amine
CID 171401698
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463127
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
N,N,7,7,10-pentakis-phenylfluoreno[2,3-b][1]benzofuran-12-amine
CID 171401514

Frequently Asked Questions

What is the IUPAC name of N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine?
The IUPAC name of N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine (CID 171401543) is N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine.
What is the SMILES notation for N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine?
The canonical SMILES for N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)-c4c(cc6oc7ccccc7c6c4-c4ccccc4)C54c5ccccc5-c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine?
The InChIKey is MDJCIIFVKKECKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO/c1-4-16-40(17-5-1)41-28-30-42(31-29-41)43-32-34-46(35-33-43)62(45-20-8-3-9-21-45)47-36-37-54-51(38-47)59-55(61(54)52-25-13-10-22-48(52)49-23-11-14-26-53(49)61)39-57-60(50-24-12-15-27-56(50)63-57)58(59)44-18-6-2-7-19-44/h1-39H.
What are the key properties of N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine?
N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine has a molecular weight of 801.99 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine is sourced from PubChem (CID 171401543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).