7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

C63H42N2S2 — CID 118242869

About 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine

7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 118242869) has the molecular formula C63H42N2S2 and a molecular weight of 891.18 g/mol. Its IUPAC name is 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 118242869
• Molecular Formula: C63H42N2S2
• Molecular Weight: 891.18 g/mol
• Exact Mass: 890.28
• IUPAC Name: 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-n3c4ccc5c6ccccc6sc5c4c4c5sc6ccccc6c5ccc43)cc21
• InChI: InChI=1S/C63H42N2S2/c1-63(2)53-37-45(64(43-25-21-41(22-26-43)39-13-5-3-6-14-39)44-27-23-42(24-28-44)40-15-7-4-8-16-40)29-31-47(53)48-32-30-46(38-54(48)63)65-55-35-33-51-49-17-9-11-19-57(49)66-61(51)59(55)60-56(65)36-34-52-50-18-10-12-20-58(50)67-62(52)60/h3-38H,1-2H3
• InChIKey: DGLNLBWRWTZYLJ-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 8.17 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.18
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 118242869) is 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(-n3c4ccc5c6ccccc6sc5c4c4c5sc6ccccc6c5ccc43)cc21.

What is the InChIKey of 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?

The InChIKey is DGLNLBWRWTZYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2S2/c1-63(2)53-37-45(64(43-25-21-41(22-26-43)39-13-5-3-6-14-39)44-27-23-42(24-28-44)40-15-7-4-8-16-40)29-31-47(53)48-32-30-46(38-54(48)63)65-55-35-33-51-49-17-9-11-19-57(49)66-61(51)59(55)60-56(65)36-34-52-50-18-10-12-20-58(50)67-62(52)60/h3-38H,1-2H3.

What are the key properties of 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine?

7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 891.18 g/mol, XLogP of 18.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118242869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).