N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine

C80H64N2O2 — CID 146432610

About N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine

N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine (PubChem CID 146432610) has the molecular formula C80H64N2O2 and a molecular weight of 1085.40 g/mol. Its IUPAC name is N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine.

Molecular Properties

• Compound Name: N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine
• PubChem CID: 146432610
• Molecular Formula: C80H64N2O2
• Molecular Weight: 1085.40 g/mol
• Exact Mass: 1084.50
• IUPAC Name: N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine
• SMILES: CC(C)(C)c1ccccc1-c1cc2c(c3c1oc1ccccc13)-c1ccc(N(c3ccc4c(c3)C(C)(C)c3c-4c4c(c5c3C(C)(C)c3ccccc3-5)-c3ccccc3CO4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc1C2(C)C
• InChI: InChI=1S/C80H64N2O2/c1-77(2,3)60-31-19-15-27-52(60)59-44-64-68(71-58-30-18-22-34-67(58)84-75(59)71)56-39-36-48(41-62(56)78(64,4)5)81(50-35-38-54-53-28-17-21-33-65(53)82(66(54)43-50)47-24-11-10-12-25-47)49-37-40-57-63(42-49)80(8,9)74-72(57)76-70(51-26-14-13-23-46(51)45-83-76)69-55-29-16-20-32-61(55)79(6,7)73(69)74/h10-44H,45H2,1-9H3
• InChIKey: GKHFZLCVMXIHLQ-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 30.54 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.40
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine?

The IUPAC name of N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine (CID 146432610) is N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine.

What is the SMILES notation for N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine?

The canonical SMILES for N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine is CC(C)(C)c1ccccc1-c1cc2c(c3c1oc1ccccc13)-c1ccc(N(c3ccc4c(c3)C(C)(C)c3c-4c4c(c5c3C(C)(C)c3ccccc3-5)-c3ccccc3CO4)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc1C2(C)C.

What is the InChIKey of N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine?

The InChIKey is GKHFZLCVMXIHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H64N2O2/c1-77(2,3)60-31-19-15-27-52(60)59-44-64-68(71-58-30-18-22-34-67(58)84-75(59)71)56-39-36-48(41-62(56)78(64,4)5)81(50-35-38-54-53-28-17-21-33-65(53)82(66(54)43-50)47-24-11-10-12-25-47)49-37-40-57-63(42-49)80(8,9)74-72(57)76-70(51-26-14-13-23-46(51)45-83-76)69-55-29-16-20-32-61(55)79(6,7)73(69)74/h10-44H,45H2,1-9H3.

What are the key properties of N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine?

N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine has a molecular weight of 1085.40 g/mol, XLogP of 21.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-(2-tert-butylphenyl)-14,14-dimethyl-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-(9,9,12,12-tetramethyl-28-oxaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.021,26]octacosa-1,3(8),4,6,10,13,15,17,19,21,23,25-dodecaen-6-yl)carbazol-2-amine is sourced from PubChem (CID 146432610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).