5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C38H31N — CID 90877385

About 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 90877385) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 90877385
• Molecular Formula: C38H31N
• Molecular Weight: 501.67 g/mol
• Exact Mass: 501.25
• IUPAC Name: 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4cccc5c4-c4ccccc4CC5)cc(c12)C3(C)C
• InChI: InChI=1S/C38H31N/c1-37(2)29-15-8-14-27-28-20-24(26-13-7-11-23-19-18-22-10-5-6-12-25(22)33(23)26)21-32-35(28)39(34(27)29)36-30(37)16-9-17-31(36)38(32,3)4/h5-17,20-21H,18-19H2,1-4H3
• InChIKey: NXAIOKIBPZMKRX-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.67
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 90877385) is 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2cccc3c2-n2c4c1cccc4c1cc(-c4cccc5c4-c4ccccc4CC5)cc(c12)C3(C)C.

What is the InChIKey of 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is NXAIOKIBPZMKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-37(2)29-15-8-14-27-28-20-24(26-13-7-11-23-19-18-22-10-5-6-12-25(22)33(23)26)21-32-35(28)39(34(27)29)36-30(37)16-9-17-31(36)38(32,3)4/h5-17,20-21H,18-19H2,1-4H3.

What are the key properties of 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 501.67 g/mol, XLogP of 9.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,10-dihydrophenanthren-4-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 90877385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).