17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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

C77H56N2 — CID 137493474

About 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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

17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 137493474) has the molecular formula C77H56N2 and a molecular weight of 1009.31 g/mol. Its IUPAC name is 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 Name: 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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: 137493474
• Molecular Formula: C77H56N2
• Molecular Weight: 1009.31 g/mol
• Exact Mass: 1008.44
• IUPAC Name: 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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
• SMILES: C/C=C\C1=CC(C)c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4c3ccc3ccccc43)c3c-5ccc4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)ccc21
• InChI: InChI=1S/C77H56N2/c1-5-18-51-41-48(2)67-46-58(33-37-60(51)67)78(54-20-8-6-9-21-54)56-32-29-50-44-68-65-36-30-52-42-57(79(55-22-10-7-11-23-55)59-35-39-64-63-25-14-16-27-69(63)76(3,4)72(64)47-59)34-38-62(52)75(65)77(73(68)45-53(50)43-56)70-28-17-15-26-66(70)74-61-24-13-12-19-49(61)31-40-71(74)77/h5-48H,1-4H3/b18-5-
• InChIKey: QPZJRKLJJVTWQL-DVZOWYKESA-N
• XLogP: 20.81
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.31
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 137493474) is 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 C/C=C\C1=CC(C)c2cc(N(c3ccccc3)c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4c3ccc3ccccc43)c3c-5ccc4cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)ccc21.

What is the InChIKey of 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 QPZJRKLJJVTWQL-DVZOWYKESA-N. The full InChI is InChI=1S/C77H56N2/c1-5-18-51-41-48(2)67-46-58(33-37-60(51)67)78(54-20-8-6-9-21-54)56-32-29-50-44-68-65-36-30-52-42-57(79(55-22-10-7-11-23-55)59-35-39-64-63-25-14-16-27-69(63)76(3,4)72(64)47-59)34-38-62(52)75(65)77(73(68)45-53(50)43-56)70-28-17-15-26-66(70)74-61-24-13-12-19-49(61)31-40-71(74)77/h5-48H,1-4H3/b18-5-.

What are the key properties of 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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?

17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 1009.31 g/mol, XLogP of 20.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17-N'-(9,9-dimethylfluoren-2-yl)-7-N'-[3-methyl-1-[(Z)-prop-1-enyl]-3H-inden-5-yl]-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 137493474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).