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

C85H56N2 — CID 137494593

IUPAC7-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4c3ccc3ccccc43)c3c-5ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)ccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C85H56N2/c1-7-23-57(24-8-1)62-42-49-81(75(53-62)59-27-11-3-12-28-59)86(67-32-15-5-16-33-67)69-44-39-64-55-77-73-46-40-65-51-70(87(68-34-17-6-18-35-68)82-50-43-63(58-25-9-2-10-26-58)54-76(82)60-29-13-4-14-30-60)45-47-72(65)84(73)85(80(77)56-66(64)52-69)78-38-22-21-37-74(78)83-71-36-20-19-31-61(71)41-48-79(83)85/h1-56H
InChIKeyVMLJXDNJGGPQBA-UHFFFAOYSA-N
MW1105.40 g/mol
LogP23.10
Rot. Bonds10

About 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

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 (PubChem CID 137494593) has the molecular formula C85H56N2 and a molecular weight of 1105.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID137494593
Molecular FormulaC85H56N2
Molecular Weight1105.40 g/mol
Exact Mass1104.44
IUPAC Name7-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4c3ccc3ccccc43)c3c-5ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)ccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C85H56N2/c1-7-23-57(24-8-1)62-42-49-81(75(53-62)59-27-11-3-12-28-59)86(67-32-15-5-16-33-67)69-44-39-64-55-77-73-46-40-65-51-70(87(68-34-17-6-18-35-68)82-50-43-63(58-25-9-2-10-26-58)54-76(82)60-29-13-4-14-30-60)45-47-72(65)84(73)85(80(77)56-66(64)52-69)78-38-22-21-37-74(78)83-71-36-20-19-31-61(71)41-48-79(83)85/h1-56H
InChIKeyVMLJXDNJGGPQBA-UHFFFAOYSA-N
XLogP23.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001105.40
LogP ≤ 523.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

7-N',7-N',17-N',17-N'-tetraphenylspiro[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 137495014
3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenylspiro[benzo[a]fluorene-11,9'-fluorene]-3,9-diamine
CID 137492860
7-N',17-N'-diphenyl-7-N',17-N'-bis(2-phenylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493452
N-phenyl-N-(3-phenylphenyl)-7'-[3-[2-(N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylanilino)phenyl]phenyl]spiro[fluorene-9,12'-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]-17'-amine
CID 137493832
N-phenyl-N-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-amine
CID 140962656
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
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
3-(N-[7'-(N-(3-cyanophenyl)anilino)spiro[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]-17'-yl]anilino)benzonitrile
CID 137493930
N-phenyl-N-(2-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]-17'-amine
CID 140961739
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134194037
N-(2,4-diphenylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 165015821
N-[2-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-2-amine
CID 167626753

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4c3ccc3ccccc43)c3c-5ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5-c5ccccc5)ccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is VMLJXDNJGGPQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H56N2/c1-7-23-57(24-8-1)62-42-49-81(75(53-62)59-27-11-3-12-28-59)86(67-32-15-5-16-33-67)69-44-39-64-55-77-73-46-40-65-51-70(87(68-34-17-6-18-35-68)82-50-43-63(58-25-9-2-10-26-58)54-76(82)60-29-13-4-14-30-60)45-47-72(65)84(73)85(80(77)56-66(64)52-69)78-38-22-21-37-74(78)83-71-36-20-19-31-61(71)41-48-79(83)85/h1-56H.
What are the key properties of 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?
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 has a molecular weight of 1105.40 g/mol, XLogP of 23.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137494593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).