N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine

C74H55N3S — CID 144661781

About N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine

N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine (PubChem CID 144661781) has the molecular formula C74H55N3S and a molecular weight of 1018.34 g/mol. Its IUPAC name is N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
• PubChem CID: 144661781
• Molecular Formula: C74H55N3S
• Molecular Weight: 1018.34 g/mol
• Exact Mass: 1017.41
• IUPAC Name: N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
• SMILES: CC1(C)c2ccccc2-c2c1c1cc3c(cc1n2-c1ccccc1)c1cc(-c2cccc4c2sc2ccccc24)ccc1n3-c1ccc(N(C2=CC=C3c4ccccc4C(C)(C)C3C2)c2ccc(-c3ccccc3)cc2)cc1
• InChI: InChI=1S/C74H55N3S/c1-73(2)63-27-14-11-22-55(63)56-40-39-53(43-65(56)73)75(50-33-30-47(31-34-50)46-18-7-5-8-19-46)51-35-37-52(38-36-51)76-66-41-32-48(54-25-17-26-58-57-23-13-16-29-69(57)78-72(54)58)42-60(66)61-44-68-62(45-67(61)76)70-71(77(68)49-20-9-6-10-21-49)59-24-12-15-28-64(59)74(70,3)4/h5-42,44-45,65H,43H2,1-4H3
• InChIKey: PMABHTRIWRRSGZ-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 13.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1018.34
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine?

The IUPAC name of N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine (CID 144661781) is N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine.

What is the SMILES notation for N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine?

The canonical SMILES for N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine is CC1(C)c2ccccc2-c2c1c1cc3c(cc1n2-c1ccccc1)c1cc(-c2cccc4c2sc2ccccc24)ccc1n3-c1ccc(N(C2=CC=C3c4ccccc4C(C)(C)C3C2)c2ccc(-c3ccccc3)cc2)cc1.

What is the InChIKey of N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine?

The InChIKey is PMABHTRIWRRSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H55N3S/c1-73(2)63-27-14-11-22-55(63)56-40-39-53(43-65(56)73)75(50-33-30-47(31-34-50)46-18-7-5-8-19-46)51-35-37-52(38-36-51)76-66-41-32-48(54-25-17-26-58-57-23-13-16-29-69(57)78-72(54)58)42-60(66)61-44-68-62(45-67(61)76)70-71(77(68)49-20-9-6-10-21-49)59-24-12-15-28-64(59)74(70,3)4/h5-42,44-45,65H,43H2,1-4H3.

What are the key properties of N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine?

N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine has a molecular weight of 1018.34 g/mol, XLogP of 20.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(6-dibenzothiophen-4-yl-15,15-dimethyl-23-phenyl-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4(9),5,7,11,14(22),16,18,20-decaen-10-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine is sourced from PubChem (CID 144661781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).