18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene

C64H48N2 — CID 145085256

About 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene

18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene (PubChem CID 145085256) has the molecular formula C64H48N2 and a molecular weight of 845.10 g/mol. Its IUPAC name is 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
• PubChem CID: 145085256
• Molecular Formula: C64H48N2
• Molecular Weight: 845.10 g/mol
• Exact Mass: 844.38
• IUPAC Name: 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
• SMILES: CCC1=C(CCc2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6cccc8c6n7-c6ccccc6-c6ccccc6-8)cc5)ccc43)c2)CCC=C1
• InChI: InChI=1S/C64H48N2/c1-2-43-15-6-7-18-45(43)28-27-42-37-50(44-16-4-3-5-17-44)39-51(38-42)65-60-25-12-11-22-55(60)58-40-48(33-35-62(58)65)46-29-31-47(32-30-46)49-34-36-63-59(41-49)57-24-14-23-56-53-20-9-8-19-52(53)54-21-10-13-26-61(54)66(63)64(56)57/h3-6,8-17,19-26,29-41H,2,7,18,27-28H2,1H3
• InChIKey: RQFPFAJJFAVYHH-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.10
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene?

The IUPAC name of 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene (CID 145085256) is 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene.

What is the SMILES notation for 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene?

The canonical SMILES for 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene is CCC1=C(CCc2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6cccc8c6n7-c6ccccc6-c6ccccc6-8)cc5)ccc43)c2)CCC=C1.

What is the InChIKey of 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene?

The InChIKey is RQFPFAJJFAVYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2/c1-2-43-15-6-7-18-45(43)28-27-42-37-50(44-16-4-3-5-17-44)39-51(38-42)65-60-25-12-11-22-55(60)58-40-48(33-35-62(58)65)46-29-31-47(32-30-46)49-34-36-63-59(41-49)57-24-14-23-56-53-20-9-8-19-52(53)54-21-10-13-26-61(54)66(63)64(56)57/h3-6,8-17,19-26,29-41H,2,7,18,27-28H2,1H3.

What are the key properties of 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene?

18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene has a molecular weight of 845.10 g/mol, XLogP of 17.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[4-[9-[3-[2-(2-ethylcyclohexa-1,3-dien-1-yl)ethyl]-5-phenylphenyl]carbazol-3-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene is sourced from PubChem (CID 145085256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).