N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline

C190H129FN8O4S — CID 157426816

About N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline

N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline (PubChem CID 157426816) has the molecular formula C190H129FN8O4S and a molecular weight of 2639.24 g/mol. Its IUPAC name is N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline
• PubChem CID: 157426816
• Molecular Formula: C190H129FN8O4S
• Molecular Weight: 2639.24 g/mol
• Exact Mass: 2636.98
• IUPAC Name: N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline
• SMILES: CC(C)(C)c1cc2c3c(c1)c1ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc1n3-c1ccccc1O2.Fc1cc2c3c(c1)c1ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6sc7ccccc7c56)cc4)cc1n3-c1ccccc1O2.c1ccc(-c2cc3c4c(c2)c2ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc2n4-c2ccccc2O3)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6c7cccc8c7n(c6c5)-c5ccccc5O8)c4)cc3)cc2)cc1
• InChI: InChI=1S/C52H40N2O.C48H29FN2OS.C48H32N2O.C42H28N2O/c1-52(2,3)41-33-46-45-31-24-40(32-48(45)54-47-16-10-11-17-49(47)55-50(34-41)51(46)54)39-22-29-44(30-23-39)53(42-25-18-37(19-26-42)35-12-6-4-7-13-35)43-27-20-38(21-28-43)36-14-8-5-9-15-36;49-34-28-39-37-26-21-33(27-42(37)51-40-12-5-6-14-43(40)52-44(29-34)48(39)51)32-19-24-36(25-20-32)50(35-22-17-31(18-23-35)30-9-2-1-3-10-30)41-13-8-16-46-47(41)38-11-4-7-15-45(38)53-46;1-3-13-39(14-4-1)49(40-15-5-2-6-16-40)41-28-25-34(26-29-41)33-21-23-35(24-22-33)36-11-9-12-37(31-36)38-27-30-42-43-17-10-20-47-48(43)50(45(42)32-38)44-18-7-8-19-46(44)51-47;1-4-12-29(13-5-1)32-26-37-36-25-22-31(27-39(36)44-38-18-10-11-19-40(38)45-41(28-32)42(37)44)30-20-23-35(24-21-30)43(33-14-6-2-7-15-33)34-16-8-3-9-17-34/h4-34H,1-3H3;1-29H;1-32H;1-28H
• InChIKey: BQBBDGNWLUXVLH-UHFFFAOYSA-N
• XLogP: 53.91
• TPSA: 69.60 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2639.24
LogP ≤ 5	53.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline?

The IUPAC name of N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline (CID 157426816) is N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline.

What is the SMILES notation for N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline?

The canonical SMILES for N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline is CC(C)(C)c1cc2c3c(c1)c1ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc1n3-c1ccccc1O2.Fc1cc2c3c(c1)c1ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc6sc7ccccc7c56)cc4)cc1n3-c1ccccc1O2.c1ccc(-c2cc3c4c(c2)c2ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc2n4-c2ccccc2O3)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-c4cccc(-c5ccc6c7cccc8c7n(c6c5)-c5ccccc5O8)c4)cc3)cc2)cc1.

What is the InChIKey of N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline?

The InChIKey is BQBBDGNWLUXVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2O.C48H29FN2OS.C48H32N2O.C42H28N2O/c1-52(2,3)41-33-46-45-31-24-40(32-48(45)54-47-16-10-11-17-49(47)55-50(34-41)51(46)54)39-22-29-44(30-23-39)53(42-25-18-37(19-26-42)35-12-6-4-7-13-35)43-27-20-38(21-28-43)36-14-8-5-9-15-36;49-34-28-39-37-26-21-33(27-42(37)51-40-12-5-6-14-43(40)52-44(29-34)48(39)51)32-19-24-36(25-20-32)50(35-22-17-31(18-23-35)30-9-2-1-3-10-30)41-13-8-16-46-47(41)38-11-4-7-15-45(38)53-46;1-3-13-39(14-4-1)49(40-15-5-2-6-16-40)41-28-25-34(26-29-41)33-21-23-35(24-22-33)36-11-9-12-37(31-36)38-27-30-42-43-17-10-20-47-48(43)50(45(42)32-38)44-18-7-8-19-46(44)51-47;1-4-12-29(13-5-1)32-26-37-36-25-22-31(27-39(36)44-38-18-10-11-19-40(38)45-41(28-32)42(37)44)30-20-23-35(24-21-30)43(33-14-6-2-7-15-33)34-16-8-3-9-17-34/h4-34H,1-3H3;1-29H;1-32H;1-28H.

What are the key properties of N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline?

N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline has a molecular weight of 2639.24 g/mol, XLogP of 53.91, 22 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(10-tert-butyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,N-diphenyl-4-(10-phenyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)aniline;N-[4-(10-fluoro-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine;4-[4-[3-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 157426816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).