9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine

C81H54N2 — CID 145353209

IUPAC9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(cc(N(c4ccccc4)c4ccc(-c6ccccc6)cc4-c4ccccc4)c4ccccc34)C53c4ccccc4-c4ccccc43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C81H54N2/c1-7-25-55(26-8-1)59-44-49-76(71(52-59)57-29-11-3-12-30-57)82(62-33-15-5-16-34-62)64-46-48-65-61(51-64)43-47-70-79-69-40-20-19-39-68(69)78(54-75(79)81(80(65)70)73-41-23-21-37-66(73)67-38-22-24-42-74(67)81)83(63-35-17-6-18-36-63)77-50-45-60(56-27-9-2-10-28-56)53-72(77)58-31-13-4-14-32-58/h1-54H
InChIKeyYXPLWFUCLVCICN-UHFFFAOYSA-N
MW1055.34 g/mol
LogP21.94
Rot. Bonds10

About 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine

9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine (PubChem CID 145353209) has the molecular formula C81H54N2 and a molecular weight of 1055.34 g/mol. Its IUPAC name is 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine.

Molecular Properties

Compound Name9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
PubChem CID145353209
Molecular FormulaC81H54N2
Molecular Weight1055.34 g/mol
Exact Mass1054.43
IUPAC Name9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(cc(N(c4ccccc4)c4ccc(-c6ccccc6)cc4-c4ccccc4)c4ccccc34)C53c4ccccc4-c4ccccc43)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C81H54N2/c1-7-25-55(26-8-1)59-44-49-76(71(52-59)57-29-11-3-12-30-57)82(62-33-15-5-16-34-62)64-46-48-65-61(51-64)43-47-70-79-69-40-20-19-39-68(69)78(54-75(79)81(80(65)70)73-41-23-21-37-66(73)67-38-22-24-42-74(67)81)83(63-35-17-6-18-36-63)77-50-45-60(56-27-9-2-10-28-56)53-72(77)58-31-13-4-14-32-58/h1-54H
InChIKeyYXPLWFUCLVCICN-UHFFFAOYSA-N
XLogP21.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.34
LogP ≤ 521.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-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[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 137492974
3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenylspiro[benzo[a]fluorene-11,9'-fluorene]-3,9-diamine
CID 137492860
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 140962790
9-N',17-N'-bis(4-fluorophenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 137492835
9-N',17-N'-diphenyl-9-N',17-N'-bis[2-(trimethyl-λ4-sulfanyl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 137492913
7-N',17-N'-bis(2,4-diphenylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7',17'-diamine
CID 137494593
N-(2,4-diphenylphenyl)-N-phenylspiro[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'-amine
CID 137493757
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
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
5-N,20-N-bis(2,4-diphenylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121431217
9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 145353152
3-N',5-N,5-N-triphenyl-3-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775104

Frequently Asked Questions

What is the IUPAC name of 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?
The IUPAC name of 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine (CID 145353209) is 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine.
What is the SMILES notation for 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?
The canonical SMILES for 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(cc(N(c4ccccc4)c4ccc(-c6ccccc6)cc4-c4ccccc4)c4ccccc34)C53c4ccccc4-c4ccccc43)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?
The InChIKey is YXPLWFUCLVCICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H54N2/c1-7-25-55(26-8-1)59-44-49-76(71(52-59)57-29-11-3-12-30-57)82(62-33-15-5-16-34-62)64-46-48-65-61(51-64)43-47-70-79-69-40-20-19-39-68(69)78(54-75(79)81(80(65)70)73-41-23-21-37-66(73)67-38-22-24-42-74(67)81)83(63-35-17-6-18-36-63)77-50-45-60(56-27-9-2-10-28-56)53-72(77)58-31-13-4-14-32-58/h1-54H.
What are the key properties of 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine?
9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine has a molecular weight of 1055.34 g/mol, XLogP of 21.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N',17-N'-bis(2,4-diphenylphenyl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine is sourced from PubChem (CID 145353209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).