3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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

C69H62N2 — CID 140962525

About 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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

3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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 (PubChem CID 140962525) has the molecular formula C69H62N2 and a molecular weight of 919.27 g/mol. Its IUPAC name is 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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.

Molecular Properties

• Compound Name: 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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
• PubChem CID: 140962525
• Molecular Formula: C69H62N2
• Molecular Weight: 919.27 g/mol
• Exact Mass: 918.49
• IUPAC Name: 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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
• SMILES: Cc1ccc(C)c(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5cc(C)ccc5C)ccc3c2C42c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c1
• InChI: InChI=1S/C69H62N2/c1-43-21-23-45(3)63(37-43)70(51-17-13-11-14-18-51)53-29-33-55-47(39-53)25-31-57-58-32-26-48-40-54(71(52-19-15-12-16-20-52)64-38-44(2)22-24-46(64)4)30-34-56(48)66(58)69(65(55)57)61-35-27-49(67(5,6)7)41-59(61)60-42-50(68(8,9)10)28-36-62(60)69/h11-42H,1-10H3
• InChIKey: CQFQWUQGWQQITI-UHFFFAOYSA-N
• XLogP: 19.10
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	919.27
LogP ≤ 5	19.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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?

The IUPAC name of 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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 140962525) is 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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.

What is the SMILES notation for 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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?

The canonical SMILES for 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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 is Cc1ccc(C)c(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5cc(C)ccc5C)ccc3c2C42c3ccc(C(C)(C)C)cc3-c3cc(C(C)(C)C)ccc32)c1.

What is the InChIKey of 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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?

The InChIKey is CQFQWUQGWQQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H62N2/c1-43-21-23-45(3)63(37-43)70(51-17-13-11-14-18-51)53-29-33-55-47(39-53)25-31-57-58-32-26-48-40-54(71(52-19-15-12-16-20-52)64-38-44(2)22-24-46(64)4)30-34-56(48)66(58)69(65(55)57)61-35-27-49(67(5,6)7)41-59(61)60-42-50(68(8,9)10)28-36-62(60)69/h11-42H,1-10H3.

What are the key properties of 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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?

3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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 has a molecular weight of 919.27 g/mol, XLogP of 19.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-7-N',17-N'-diphenylspiro[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 is sourced from PubChem (CID 140962525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).