14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene

C54H43N3 — CID 177087005

IUPAC14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene
SMILESCC1(C)CCC(C)(C)c2c1ccc1c3cc4c(cc3n(-c3ccccc3)c21)c1c2ccccc2ccc1n4-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H43N3/c1-53(2)30-31-54(3,4)51-44(53)28-27-41-42-32-49-43(33-48(42)57(52(41)51)35-15-6-5-7-16-35)50-38-17-9-8-14-34(38)22-29-47(50)56(49)37-25-23-36(24-26-37)55-45-20-12-10-18-39(45)40-19-11-13-21-46(40)55/h5-29,32-33H,30-31H2,1-4H3
InChIKeyGJQYSHLYAZFUID-UHFFFAOYSA-N
MW733.96 g/mol
LogP14.48
Rot. Bonds3

About 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene

14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene (PubChem CID 177087005) has the molecular formula C54H43N3 and a molecular weight of 733.96 g/mol. Its IUPAC name is 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene.

Molecular Properties

Compound Name14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene
PubChem CID177087005
Molecular FormulaC54H43N3
Molecular Weight733.96 g/mol
Exact Mass733.35
IUPAC Name14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene
SMILESCC1(C)CCC(C)(C)c2c1ccc1c3cc4c(cc3n(-c3ccccc3)c21)c1c2ccccc2ccc1n4-c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H43N3/c1-53(2)30-31-54(3,4)51-44(53)28-27-41-42-32-49-43(33-48(42)57(52(41)51)35-15-6-5-7-16-35)50-38-17-9-8-14-34(38)22-29-47(50)56(49)37-25-23-36(24-26-37)55-45-20-12-10-18-39(45)40-19-11-13-21-46(40)55/h5-29,32-33H,30-31H2,1-4H3
InChIKeyGJQYSHLYAZFUID-UHFFFAOYSA-N
XLogP14.48
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.96
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene with MolForge

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Related Compounds

21,21,24,24-tetramethyl-14-phenyl-28-(9-phenylcarbazol-3-yl)-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177086735
22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177086589
22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-3-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177086872
3-(4-carbazol-9-ylphenyl)-18,18,21,21-tetramethyl-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17(22),23-nonaene
CID 177087240
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510
21,21,24,24-tetramethyl-28-naphthalen-1-yl-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177087126
21,21,24,24-tetramethyl-14-(4-naphthalen-1-ylphenyl)-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177086815
21,21,24,24-tetramethyl-28-(4-naphthalen-1-ylphenyl)-14-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177087278
21,21,24,24-tetramethyl-28-naphthalen-2-yl-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20(25),26-undecaene
CID 177087305
22,22,25,25-tetramethyl-18-phenyl-13-triphenylen-2-yl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene
CID 177086547
25,25,28,28-tetramethyl-16-phenanthren-2-yl-20-(3-phenylphenyl)-16,20-diazaoctacyclo[15.15.0.02,15.04,13.07,12.019,31.021,30.024,29]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),21(30),22,24(29)-tridecaene
CID 177086917
22,22,25,25-tetramethyl-13-phenanthren-3-yl-18-phenyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene
CID 177086995

Frequently Asked Questions

What is the IUPAC name of 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene?
The IUPAC name of 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene (CID 177087005) is 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene.
What is the SMILES notation for 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene?
The canonical SMILES for 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene is CC1(C)CCC(C)(C)c2c1ccc1c3cc4c(cc3n(-c3ccccc3)c21)c1c2ccccc2ccc1n4-c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene?
The InChIKey is GJQYSHLYAZFUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43N3/c1-53(2)30-31-54(3,4)51-44(53)28-27-41-42-32-49-43(33-48(42)57(52(41)51)35-15-6-5-7-16-35)50-38-17-9-8-14-34(38)22-29-47(50)56(49)37-25-23-36(24-26-37)55-45-20-12-10-18-39(45)40-19-11-13-21-46(40)55/h5-29,32-33H,30-31H2,1-4H3.
What are the key properties of 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene?
14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene has a molecular weight of 733.96 g/mol, XLogP of 14.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(4-carbazol-9-ylphenyl)-22,22,25,25-tetramethyl-28-phenyl-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21(26)-undecaene is sourced from PubChem (CID 177087005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).