N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine

C63H41N3S — CID 169023375

About N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine

N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine (PubChem CID 169023375) has the molecular formula C63H41N3S and a molecular weight of 872.11 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine
• PubChem CID: 169023375
• Molecular Formula: C63H41N3S
• Molecular Weight: 872.11 g/mol
• Exact Mass: 871.30
• IUPAC Name: N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine
• SMILES: CC1(C)c2cc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5sc6ccccc6c45)cc3)cc3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3
• InChI: InChI=1S/C63H41N3S/c1-63(2)50-35-34-47-45-16-5-10-21-54(45)66-55-22-11-6-17-46(55)49-36-39(37-51(63)59(49)61(50)62(47)66)38-26-28-40(29-27-38)64(56-23-13-25-58-60(56)48-18-7-12-24-57(48)67-58)41-30-32-42(33-31-41)65-52-19-8-3-14-43(52)44-15-4-9-20-53(44)65/h3-37H,1-2H3
• InChIKey: JJLHVFQFSXISTR-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 13.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.11
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine?

The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine (CID 169023375) is N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine.

What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine?

The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine is CC1(C)c2cc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4cccc5sc6ccccc6c45)cc3)cc3c2-c2c1ccc1c4ccccc4n(c21)-c1ccccc1-3.

What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine?

The InChIKey is JJLHVFQFSXISTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N3S/c1-63(2)50-35-34-47-45-16-5-10-21-54(45)66-55-22-11-6-17-46(55)49-36-39(37-51(63)59(49)61(50)62(47)66)38-26-28-40(29-27-38)64(56-23-13-25-58-60(56)48-18-7-12-24-57(48)67-58)41-30-32-42(33-31-41)65-52-19-8-3-14-43(52)44-15-4-9-20-53(44)65/h3-37H,1-2H3.

What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine?

N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine has a molecular weight of 872.11 g/mol, XLogP of 17.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-ylphenyl)-N-[4-(26,26-dimethyl-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaen-5-yl)phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 169023375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).