9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline

C113H72N4O2 — CID 160841471

About 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline

9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline (PubChem CID 160841471) has the molecular formula C113H72N4O2 and a molecular weight of 1517.85 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline
• PubChem CID: 160841471
• Molecular Formula: C113H72N4O2
• Molecular Weight: 1517.85 g/mol
• Exact Mass: 1516.57
• IUPAC Name: 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cccc7c6c6c8c(cccc8ccc65)-c5cc6c(cc5-7)oc5ccccc56)cc4)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4cc5c(cc4-6)oc4ccccc45)cc3)cc2)cc1
• InChI: InChI=1S/C61H40N2O.C52H32N2O/c1-61(2)52-19-8-6-15-44(52)45-32-31-43(34-53(45)61)62(40-13-4-3-5-14-40)41-27-22-37(23-28-41)38-24-29-42(30-25-38)63-54-20-11-18-48-50-36-57-51(46-16-7-9-21-56(46)64-57)35-49(50)47-17-10-12-39-26-33-55(63)60(58(39)47)59(48)54;1-3-12-36(13-4-1)53(37-14-5-2-6-15-37)38-26-21-33(22-27-38)34-23-28-39(29-24-34)54-46-19-10-18-42-44-32-49-45(40-16-7-8-20-48(40)55-49)31-43(44)41-17-9-11-35-25-30-47(54)52(50(35)41)51(42)46/h3-36H,1-2H3;1-32H
• InChIKey: SICABVPCLVCBQS-UHFFFAOYSA-N
• XLogP: 31.55
• TPSA: 42.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1517.85
LogP ≤ 5	31.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline?

The IUPAC name of 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline (CID 160841471) is 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline.

What is the SMILES notation for 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline?

The canonical SMILES for 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6cccc7c6c6c8c(cccc8ccc65)-c5cc6c(cc5-7)oc5ccccc56)cc4)cc3)cc21.c1ccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)-c4cc5c(cc4-6)oc4ccccc45)cc3)cc2)cc1.

What is the InChIKey of 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline?

The InChIKey is SICABVPCLVCBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O.C52H32N2O/c1-61(2)52-19-8-6-15-44(52)45-32-31-43(34-53(45)61)62(40-13-4-3-5-14-40)41-27-22-37(23-28-41)38-24-29-42(30-25-38)63-54-20-11-18-48-50-36-57-51(46-16-7-9-21-56(46)64-57)35-49(50)47-17-10-12-39-26-33-55(63)60(58(39)47)59(48)54;1-3-12-36(13-4-1)53(37-14-5-2-6-15-37)38-26-21-33(22-27-38)34-23-28-39(29-24-34)54-46-19-10-18-42-44-32-49-45(40-16-7-8-20-48(40)55-49)31-43(44)41-17-9-11-35-25-30-47(54)52(50(35)41)51(42)46/h3-36H,1-2H3;1-32H.

What are the key properties of 9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline?

9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 1517.85 g/mol, XLogP of 31.55, 10 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-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 160841471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).