9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine

C63H40N2O — CID 164938491

IUPAC9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
SMILESc1ccc(Nc2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc(N(c3ccccc3)c3cccc5c3oc3c(-c6ccccc6)cccc35)c3ccccc3c2-4)cc1
InChIInChI=1S/C63H40N2O/c1-4-18-40(19-5-1)46-28-16-29-51-52-30-17-33-58(62(52)66-61(46)51)65(45-22-8-3-9-23-45)59-39-57-60(50-27-11-10-26-49(50)59)53-37-41-34-35-44(64-43-20-6-2-7-21-43)36-42(41)38-56(53)63(57)54-31-14-12-24-47(54)48-25-13-15-32-55(48)63/h1-39,64H
InChIKeyJVPGVLNUSYYYOB-UHFFFAOYSA-N
MW841.03 g/mol
LogP17.12
Rot. Bonds6

About 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine

9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine (PubChem CID 164938491) has the molecular formula C63H40N2O and a molecular weight of 841.03 g/mol. Its IUPAC name is 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine.

Molecular Properties

Compound Name9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
PubChem CID164938491
Molecular FormulaC63H40N2O
Molecular Weight841.03 g/mol
Exact Mass840.31
IUPAC Name9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
SMILESc1ccc(Nc2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc(N(c3ccccc3)c3cccc5c3oc3c(-c6ccccc6)cccc35)c3ccccc3c2-4)cc1
InChIInChI=1S/C63H40N2O/c1-4-18-40(19-5-1)46-28-16-29-51-52-30-17-33-58(62(52)66-61(46)51)65(45-22-8-3-9-23-45)59-39-57-60(50-27-11-10-26-49(50)59)53-37-41-34-35-44(64-43-20-6-2-7-21-43)36-42(41)38-56(53)63(57)54-31-14-12-24-47(54)48-25-13-15-32-55(48)63/h1-39,64H
InChIKeyJVPGVLNUSYYYOB-UHFFFAOYSA-N
XLogP17.12
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.03
LogP ≤ 517.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine with MolForge

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Related Compounds

9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492787
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492809
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N,6-diphenyldibenzofuran-4-amine
CID 90140411
6-(2-methylphenyl)-N-phenyl-N-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]-20'-yldibenzofuran-4-amine
CID 145353357
N-[4-(9-naphthalen-2-ylfluoren-9-yl)phenyl]-N,6-diphenyldibenzofuran-4-amine
CID 138669005
7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139897
N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
CID 140962343
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
CID 90139814
12,12-diphenyl-9-N,15-N-bis(6-phenyldibenzofuran-4-yl)-9-N,15-N-bis(3,4,5-trimethylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140073
N-phenyl-N-(3,4,5-trimethylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-9'-amine
CID 140962814
N,6-diphenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176844263
7-N',17-N'-diphenyl-7-N',17-N'-bis(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7',17'-diamine
CID 137492765

Frequently Asked Questions

What is the IUPAC name of 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine?
The IUPAC name of 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine (CID 164938491) is 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine.
What is the SMILES notation for 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine?
The canonical SMILES for 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine is c1ccc(Nc2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc(N(c3ccccc3)c3cccc5c3oc3c(-c6ccccc6)cccc35)c3ccccc3c2-4)cc1.
What is the InChIKey of 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine?
The InChIKey is JVPGVLNUSYYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2O/c1-4-18-40(19-5-1)46-28-16-29-51-52-30-17-33-58(62(52)66-61(46)51)65(45-22-8-3-9-23-45)59-39-57-60(50-27-11-10-26-49(50)59)53-37-41-34-35-44(64-43-20-6-2-7-21-43)36-42(41)38-56(53)63(57)54-31-14-12-24-47(54)48-25-13-15-32-55(48)63/h1-39,64H.
What are the key properties of 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine?
9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine has a molecular weight of 841.03 g/mol, XLogP of 17.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N',17-N'-diphenyl-9-N'-(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine is sourced from PubChem (CID 164938491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).