N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine

C50H41N — CID 130290624

About N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine (PubChem CID 130290624) has the molecular formula C50H41N and a molecular weight of 655.89 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine.

Molecular Properties

• Compound Name: N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
• PubChem CID: 130290624
• Molecular Formula: C50H41N
• Molecular Weight: 655.89 g/mol
• Exact Mass: 655.32
• IUPAC Name: N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
• SMILES: Cc1cc(C)cc(N(c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3ccccc3cc2-4)c1
• InChI: InChI=1S/C50H41N/c1-30-21-31(2)23-39(22-30)51(38-18-19-41-47(29-38)49(3,4)44-20-16-32-11-9-10-14-40(32)48(41)44)37-17-15-35-26-43-42-25-33-12-7-8-13-34(33)27-45(42)50(5,6)46(43)28-36(35)24-37/h7-29H,1-6H3
• InChIKey: PJKJLKSNBCPXAA-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	655.89
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?

The IUPAC name of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine (CID 130290624) is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine.

What is the SMILES notation for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?

The canonical SMILES for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine is Cc1cc(C)cc(N(c2ccc3c(c2)C(C)(C)c2ccc4ccccc4c2-3)c2ccc3cc4c(cc3c2)C(C)(C)c2cc3ccccc3cc2-4)c1.

What is the InChIKey of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?

The InChIKey is PJKJLKSNBCPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N/c1-30-21-31(2)23-39(22-30)51(38-18-19-41-47(29-38)49(3,4)44-20-16-32-11-9-10-14-40(32)48(41)44)37-17-15-35-26-43-42-25-33-12-7-8-13-34(33)27-45(42)50(5,6)46(43)28-36(35)24-37/h7-29H,1-6H3.

What are the key properties of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?

N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine has a molecular weight of 655.89 g/mol, XLogP of 13.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(3,5-dimethylphenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine is sourced from PubChem (CID 130290624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).