10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine

C75H54N2 — CID 89061080

About 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine

10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine (PubChem CID 89061080) has the molecular formula C75H54N2 and a molecular weight of 983.27 g/mol. Its IUPAC name is 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine.

Molecular Properties

• Compound Name: 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine
• PubChem CID: 89061080
• Molecular Formula: C75H54N2
• Molecular Weight: 983.27 g/mol
• Exact Mass: 982.43
• IUPAC Name: 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine
• SMILES: CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c(-c4ccc(-c5ccccc5)cc4)c3cc21
• InChI: InChI=1S/C75H54N2/c1-75(2)71-48-64(76(59-26-12-5-13-27-59)60-28-14-6-15-29-60)42-44-65(71)67-49-69-70(50-72(67)75)73(56-36-32-54(33-37-56)51-20-8-3-9-21-51)66-45-43-63(47-68(66)74(69)57-38-34-55(35-39-57)52-22-10-4-11-23-52)77(61-30-16-7-17-31-61)62-41-40-53-24-18-19-25-58(53)46-62/h3-50H,1-2H3
• InChIKey: UYJXEHVDOJDAIX-UHFFFAOYSA-N
• XLogP: 21.06
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.27
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine?

The IUPAC name of 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine (CID 89061080) is 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine.

What is the SMILES notation for 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine?

The canonical SMILES for 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(-c4ccc(-c5ccccc5)cc4)c4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c(-c4ccc(-c5ccccc5)cc4)c3cc21.

What is the InChIKey of 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine?

The InChIKey is UYJXEHVDOJDAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H54N2/c1-75(2)71-48-64(76(59-26-12-5-13-27-59)60-28-14-6-15-29-60)42-44-65(71)67-49-69-70(50-72(67)75)73(56-36-32-54(33-37-56)51-20-8-3-9-21-51)66-45-43-63(47-68(66)74(69)57-38-34-55(35-39-57)52-22-10-4-11-23-52)77(61-30-16-7-17-31-61)62-41-40-53-24-18-19-25-58(53)46-62/h3-50H,1-2H3.

What are the key properties of 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine?

10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine has a molecular weight of 983.27 g/mol, XLogP of 21.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-18-N-naphthalen-2-yl-7-N,7-N,18-N-triphenyl-14,21-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene-7,18-diamine is sourced from PubChem (CID 89061080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).