7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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

C65H48N2 — CID 137494477

About 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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

7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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 137494477) has the molecular formula C65H48N2 and a molecular weight of 857.11 g/mol. Its IUPAC name is 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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: 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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: 137494477
• Molecular Formula: C65H48N2
• Molecular Weight: 857.11 g/mol
• Exact Mass: 856.38
• IUPAC Name: 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc(C)cc5C)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)c(C)c1
• InChI: InChI=1S/C65H48N2/c1-41-23-35-60(43(3)37-41)66(48-16-7-5-8-17-48)50-28-32-53-46(39-50)25-30-55-56-31-26-47-40-51(67(49-18-9-6-10-19-49)61-36-24-42(2)38-44(61)4)29-33-54(47)64(56)65(63(53)55)58-22-14-13-21-57(58)62-52-20-12-11-15-45(52)27-34-59(62)65/h5-40H,1-4H3
• InChIKey: PXQMBDDKIJAWNL-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.11
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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 137494477) is 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc(C)cc5C)ccc3c2C42c3ccccc3-c3c2ccc2ccccc32)c(C)c1.

What is the InChIKey of 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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 PXQMBDDKIJAWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N2/c1-41-23-35-60(43(3)37-41)66(48-16-7-5-8-17-48)50-28-32-53-46(39-50)25-30-55-56-31-26-47-40-51(67(49-18-9-6-10-19-49)61-36-24-42(2)38-44(61)4)29-33-54(47)64(56)65(63(53)55)58-22-14-13-21-57(58)62-52-20-12-11-15-45(52)27-34-59(62)65/h5-40H,1-4H3.

What are the key properties of 7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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?

7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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 857.11 g/mol, XLogP of 17.66, 6 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-dimethylphenyl)-7-N',17-N'-diphenylspiro[benzo[c]fluorene-7,12'-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 137494477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).