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

C50H41N3 — CID 177087240

IUPAC3-(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
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1c(ccc2c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c21)n3-c1ccccc1
InChIInChI=1S/C50H41N3/c1-49(2)28-29-50(3,4)41-31-46-39(30-40(41)49)47-45(52(46)32-14-6-5-7-15-32)27-26-38-37-18-10-13-21-44(37)53(48(38)47)34-24-22-33(23-25-34)51-42-19-11-8-16-35(42)36-17-9-12-20-43(36)51/h5-27,30-31H,28-29H2,1-4H3
InChIKeySGHJFXQQIJDQJO-UHFFFAOYSA-N
MW683.90 g/mol
LogP13.33
Rot. Bonds3

About 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

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 (PubChem CID 177087240) has the molecular formula C50H41N3 and a molecular weight of 683.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID177087240
Molecular FormulaC50H41N3
Molecular Weight683.90 g/mol
Exact Mass683.33
IUPAC Name3-(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
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1c(ccc2c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c21)n3-c1ccccc1
InChIInChI=1S/C50H41N3/c1-49(2)28-29-50(3,4)41-31-46-39(30-40(41)49)47-45(52(46)32-14-6-5-7-15-32)27-26-38-37-18-10-13-21-44(37)53(48(38)47)34-24-22-33(23-25-34)51-42-19-11-8-16-35(42)36-17-9-12-20-43(36)51/h5-27,30-31H,28-29H2,1-4H3
InChIKeySGHJFXQQIJDQJO-UHFFFAOYSA-N
XLogP13.33
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.90
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

3-[4-(9,9-dimethylfluoren-4-yl)phenyl]-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 177086843
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
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
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-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
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
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086967
24,24,27,27-tetramethyl-20-phenyl-16-[4-(3-phenylphenyl)phenyl]-16,20-diazaoctacyclo[15.15.0.02,15.03,8.09,14.019,31.021,30.023,28]dotriaconta-1(17),2(15),3,5,7,9,11,13,18,21,23(28),29,31-tridecaene
CID 177086695
21,21,24,24-tetramethyl-3-naphthalen-2-yl-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177087063
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
21,21,24,24-tetramethyl-3-phenanthren-3-yl-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086876

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2cc3c(cc21)c1c(ccc2c4ccccc4n(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c21)n3-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is SGHJFXQQIJDQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N3/c1-49(2)28-29-50(3,4)41-31-46-39(30-40(41)49)47-45(52(46)32-14-6-5-7-15-32)27-26-38-37-18-10-13-21-44(37)53(48(38)47)34-24-22-33(23-25-34)51-42-19-11-8-16-35(42)36-17-9-12-20-43(36)51/h5-27,30-31H,28-29H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 683.90 g/mol, XLogP of 13.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177087240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).