9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline

C186H126N6 — CID 158385057

About 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline

9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 158385057) has the molecular formula C186H126N6 and a molecular weight of 2445.10 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 158385057
• Molecular Formula: C186H126N6
• Molecular Weight: 2445.10 g/mol
• Exact Mass: 2443.00
• IUPAC Name: 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccc7cccc8ccc(cc4n5-c4ccc(-c5ccccc5)cc4)c6c87)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccc7cccc8ccc(cc4n5-c4ccccc4)c6c87)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccc7cccc8ccc(cc4n5-c4ccccc4)c6c87)cc3)cc2)cc1
• InChI: InChI=1S/C67H46N2.C61H42N2.C58H38N2/c1-67(2)60-19-10-9-18-56(60)57-38-36-55(42-61(57)67)68(52-30-22-45(23-31-52)43-12-5-3-6-13-43)53-32-26-47(27-33-53)50-29-39-62-59(40-50)66-58-37-28-49-17-11-16-48-20-21-51(65(58)64(48)49)41-63(66)69(62)54-34-24-46(25-35-54)44-14-7-4-8-15-44;1-61(2)54-19-10-9-18-50(54)51-34-32-49(38-55(51)61)62(47-28-22-40(23-29-47)39-12-5-3-6-13-39)48-30-24-41(25-31-48)44-27-35-56-53(36-44)60-52-33-26-43-15-11-14-42-20-21-45(59(52)58(42)43)37-57(60)63(56)46-16-7-4-8-17-46;1-4-11-39(12-5-1)41-21-29-49(30-22-41)59(50-31-23-42(24-32-50)40-13-6-2-7-14-40)51-33-25-43(26-34-51)46-28-36-54-53(37-46)58-52-35-27-45-16-10-15-44-19-20-47(57(52)56(44)45)38-55(58)60(54)48-17-8-3-9-18-48/h3-42H,1-2H3;3-38H,1-2H3;1-38H
• InChIKey: GWGOUATXZQPZJB-UHFFFAOYSA-N
• XLogP: 51.40
• TPSA: 24.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2445.10
LogP ≤ 5	51.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 158385057) is 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccc7cccc8ccc(cc4n5-c4ccc(-c5ccccc5)cc4)c6c87)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccc7cccc8ccc(cc4n5-c4ccccc4)c6c87)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4c6ccc7cccc8ccc(cc4n5-c4ccccc4)c6c87)cc3)cc2)cc1.

What is the InChIKey of 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?

The InChIKey is GWGOUATXZQPZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2.C61H42N2.C58H38N2/c1-67(2)60-19-10-9-18-56(60)57-38-36-55(42-61(57)67)68(52-30-22-45(23-31-52)43-12-5-3-6-13-43)53-32-26-47(27-33-53)50-29-39-62-59(40-50)66-58-37-28-49-17-11-16-48-20-21-51(65(58)64(48)49)41-63(66)69(62)54-34-24-46(25-35-54)44-14-7-4-8-15-44;1-61(2)54-19-10-9-18-50(54)51-34-32-49(38-55(51)61)62(47-28-22-40(23-29-47)39-12-5-3-6-13-39)48-30-24-41(25-31-48)44-27-35-56-53(36-44)60-52-33-26-43-15-11-14-42-20-21-45(59(52)58(42)43)37-57(60)63(56)46-16-7-4-8-17-46;1-4-11-39(12-5-1)41-21-29-49(30-22-41)59(50-31-23-42(24-32-50)40-13-6-2-7-14-40)51-33-25-43(26-34-51)46-28-36-54-53(37-46)58-52-35-27-45-16-10-15-44-19-20-47(57(52)56(44)45)38-55(58)60(54)48-17-8-3-9-18-48/h3-42H,1-2H3;3-38H,1-2H3;1-38H.

What are the key properties of 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline?

9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 2445.10 g/mol, XLogP of 51.40, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl]phenyl]fluoren-2-amine;4-phenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158385057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).