9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline

C147H101N9 — CID 157411298

About 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline

9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline (PubChem CID 157411298) has the molecular formula C147H101N9 and a molecular weight of 1993.49 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline
• PubChem CID: 157411298
• Molecular Formula: C147H101N9
• Molecular Weight: 1993.49 g/mol
• Exact Mass: 1991.82
• IUPAC Name: 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c43)c2)cc1
• InChI: InChI=1S/C55H39N3.2C46H31N3/c1-55(2)47-26-14-11-21-41(47)42-34-33-40(35-48(42)55)56(36-17-5-3-6-18-36)38-29-31-39(32-30-38)58-49-27-15-12-24-45(49)51-43-22-9-10-23-44(43)53-52(54(51)58)46-25-13-16-28-50(46)57(53)37-19-7-4-8-20-37;1-4-17-32(18-5-1)47(33-19-6-2-7-20-33)35-23-16-24-36(31-35)49-41-29-14-12-27-39(41)43-37-25-10-11-26-38(37)45-44(46(43)49)40-28-13-15-30-42(40)48(45)34-21-8-3-9-22-34;1-4-16-32(17-5-1)47(33-18-6-2-7-19-33)35-28-30-36(31-29-35)49-41-26-14-12-24-39(41)43-37-22-10-11-23-38(37)45-44(46(43)49)40-25-13-15-27-42(40)48(45)34-20-8-3-9-21-34/h3-35H,1-2H3;2*1-31H
• InChIKey: BOHXTAGXWAGMJH-UHFFFAOYSA-N
• XLogP: 39.82
• TPSA: 39.30 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1993.49
LogP ≤ 5	39.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline?

The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline (CID 157411298) is 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline.

What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline?

The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c6ccccc6c6c(c7ccccc7n6-c6ccccc6)c54)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c43)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc(-n3c4ccccc4c4c5ccccc5c5c(c6ccccc6n5-c5ccccc5)c43)c2)cc1.

What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline?

The InChIKey is BOHXTAGXWAGMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39N3.2C46H31N3/c1-55(2)47-26-14-11-21-41(47)42-34-33-40(35-48(42)55)56(36-17-5-3-6-18-36)38-29-31-39(32-30-38)58-49-27-15-12-24-45(49)51-43-22-9-10-23-44(43)53-52(54(51)58)46-25-13-16-28-50(46)57(53)37-19-7-4-8-20-37;1-4-17-32(18-5-1)47(33-19-6-2-7-20-33)35-23-16-24-36(31-35)49-41-29-14-12-27-39(41)43-37-25-10-11-26-38(37)45-44(46(43)49)40-28-13-15-30-42(40)48(45)34-21-8-3-9-22-34;1-4-16-32(17-5-1)47(33-18-6-2-7-19-33)35-28-30-36(31-29-35)49-41-26-14-12-24-39(41)43-37-22-10-11-23-38(37)45-44(46(43)49)40-25-13-15-27-42(40)48(45)34-20-8-3-9-21-34/h3-35H,1-2H3;2*1-31H.

What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline?

9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline has a molecular weight of 1993.49 g/mol, XLogP of 39.82, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-phenyl-N-[4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)phenyl]fluoren-2-amine;N,N-diphenyl-3-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline;N,N-diphenyl-4-(9-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)aniline is sourced from PubChem (CID 157411298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).