24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

C63H44N4 — CID 170651849

IUPAC24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
SMILESCC1(C)c2ccc3cc2-c2cc(ccc21)N(c1cccc2c4ccccc4n(-c4ccccc4)c12)c1cccc(c1)-c1cccc(c1)N3c1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C63H44N4/c1-63(2)55-35-33-47-39-53(55)54-40-48(34-36-56(54)63)65(60-32-16-28-52-50-26-10-12-30-58(50)67(62(52)60)44-21-7-4-8-22-44)46-24-14-18-42(38-46)41-17-13-23-45(37-41)64(47)59-31-15-27-51-49-25-9-11-29-57(49)66(61(51)59)43-19-5-3-6-20-43/h3-40H,1-2H3
InChIKeyQAILCXRRIYYDHB-UHFFFAOYSA-N
MW857.07 g/mol
LogP17.11
Rot. Bonds4

About 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (PubChem CID 170651849) has the molecular formula C63H44N4 and a molecular weight of 857.07 g/mol. Its IUPAC name is 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.

Molecular Properties

Compound Name24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
PubChem CID170651849
Molecular FormulaC63H44N4
Molecular Weight857.07 g/mol
Exact Mass856.36
IUPAC Name24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
SMILESCC1(C)c2ccc3cc2-c2cc(ccc21)N(c1cccc2c4ccccc4n(-c4ccccc4)c12)c1cccc(c1)-c1cccc(c1)N3c1cccc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C63H44N4/c1-63(2)55-35-33-47-39-53(55)54-40-48(34-36-56(54)63)65(60-32-16-28-52-50-26-10-12-30-58(50)67(62(52)60)44-21-7-4-8-22-44)46-24-14-18-42(38-46)41-17-13-23-45(37-41)64(47)59-31-15-27-51-49-25-9-11-29-57(49)66(61(51)59)43-19-5-3-6-20-43/h3-40H,1-2H3
InChIKeyQAILCXRRIYYDHB-UHFFFAOYSA-N
XLogP17.11
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.07
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene with MolForge

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Related Compounds

7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-18-(9-naphthalen-1-ylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652034
24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652109
24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652127
24,24-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)-18-(9-phenylcarbazol-3-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651791
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229
7-dibenzothiophen-3-yl-24,24-dimethyl-18-(9-phenylcarbazol-2-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651984
13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 158528646
24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651763
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170652067
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The IUPAC name of 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (CID 170651849) is 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.
What is the SMILES notation for 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The canonical SMILES for 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is CC1(C)c2ccc3cc2-c2cc(ccc21)N(c1cccc2c4ccccc4n(-c4ccccc4)c12)c1cccc(c1)-c1cccc(c1)N3c1cccc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
The InChIKey is QAILCXRRIYYDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4/c1-63(2)55-35-33-47-39-53(55)54-40-48(34-36-56(54)63)65(60-32-16-28-52-50-26-10-12-30-58(50)67(62(52)60)44-21-7-4-8-22-44)46-24-14-18-42(38-46)41-17-13-23-45(37-41)64(47)59-31-15-27-51-49-25-9-11-29-57(49)66(61(51)59)43-19-5-3-6-20-43/h3-40H,1-2H3.
What are the key properties of 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?
24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene has a molecular weight of 857.07 g/mol, XLogP of 17.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is sourced from PubChem (CID 170651849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).