N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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

C54H41N — CID 130290737

About N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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 130290737) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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: 130290737
• Molecular Formula: C54H41N
• Molecular Weight: 703.93 g/mol
• Exact Mass: 703.32
• IUPAC Name: N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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: CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)cc3cc21
• InChI: InChI=1S/C54H41N/c1-53(2)48-26-22-35-15-10-11-20-44(35)52(48)45-25-24-43(33-51(45)53)55(41-19-12-18-36(27-41)34-13-6-5-7-14-34)42-23-21-39-30-47-46-29-37-16-8-9-17-38(37)31-49(46)54(3,4)50(47)32-40(39)28-42/h5-33H,1-4H3
• InChIKey: KUCLOIOWJSDKAT-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.93
LogP ≤ 5	14.90
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)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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 130290737) is N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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 CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C(C)(C)c4ccc6ccccc6c4-5)cc3cc21.

What is the InChIKey of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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 KUCLOIOWJSDKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-53(2)48-26-22-35-15-10-11-20-44(35)52(48)45-25-24-43(33-51(45)53)55(41-19-12-18-36(27-41)34-13-6-5-7-14-34)42-23-21-39-30-47-46-29-37-16-8-9-17-38(37)31-49(46)54(3,4)50(47)32-40(39)28-42/h5-33H,1-4H3.

What are the key properties of N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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 703.93 g/mol, XLogP of 14.90, 4 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)-12,12-dimethyl-N-(3-phenylphenyl)pentacyclo[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 130290737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).