N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine

C78H60N2O2 — CID 163671900

About N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine

N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine (PubChem CID 163671900) has the molecular formula C78H60N2O2 and a molecular weight of 1057.35 g/mol. Its IUPAC name is N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine.

Molecular Properties

• Compound Name: N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine
• PubChem CID: 163671900
• Molecular Formula: C78H60N2O2
• Molecular Weight: 1057.35 g/mol
• Exact Mass: 1056.47
• IUPAC Name: N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine
• SMILES: Cc1cc(C)c(-c2cc3c(c4c2oc2ccccc24)-c2ccc(N(c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C(C)(C)c4ccc5oc7ccccc7c5c4-6)c4cccc5c6ccccc6n(-c6ccccc6)c45)cc2C3(C)C)c(C)c1
• InChI: InChI=1S/C78H60N2O2/c1-43-36-44(2)69(45(3)37-43)57-42-63-70(73-54-24-15-18-29-67(54)82-75(57)73)52-33-31-48(39-60(52)78(63,8)9)79(65-27-19-25-51-50-22-13-16-26-64(50)80(74(51)65)46-20-11-10-12-21-46)47-30-32-49-55-40-62-56(41-61(55)77(6,7)59(49)38-47)71-58(76(62,4)5)34-35-68-72(71)53-23-14-17-28-66(53)81-68/h10-42H,1-9H3
• InChIKey: XXVFMRAXOGEXAG-UHFFFAOYSA-N
• XLogP: 21.56
• TPSA: 34.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.35
LogP ≤ 5	21.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine?

The IUPAC name of N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine (CID 163671900) is N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine.

What is the SMILES notation for N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine?

The canonical SMILES for N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine is Cc1cc(C)c(-c2cc3c(c4c2oc2ccccc24)-c2ccc(N(c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C(C)(C)c4ccc5oc7ccccc7c5c4-6)c4cccc5c6ccccc6n(-c6ccccc6)c45)cc2C3(C)C)c(C)c1.

What is the InChIKey of N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine?

The InChIKey is XXVFMRAXOGEXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N2O2/c1-43-36-44(2)69(45(3)37-43)57-42-63-70(73-54-24-15-18-29-67(54)82-75(57)73)52-33-31-48(39-60(52)78(63,8)9)79(65-27-19-25-51-50-22-13-16-26-64(50)80(74(51)65)46-20-11-10-12-21-46)47-30-32-49-55-40-62-56(41-61(55)77(6,7)59(49)38-47)71-58(76(62,4)5)34-35-68-72(71)53-23-14-17-28-66(53)81-68/h10-42H,1-9H3.

What are the key properties of N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine?

N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine has a molecular weight of 1057.35 g/mol, XLogP of 21.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-9-phenyl-N-(15,15,25,25-tetramethyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)carbazol-1-amine is sourced from PubChem (CID 163671900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).