9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole

C56H32N2O2 — CID 155363096

IUPAC9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole
SMILESc1ccc(-c2c3oc4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc4c3cc3oc4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc4c23)cc1
InChIInChI=1S/C56H32N2O2/c1-2-12-33(13-3-1)54-55-46-29-35-23-25-39(58-49-20-10-6-16-42(49)43-17-7-11-21-50(43)58)27-37(35)31-52(46)59-53(55)32-45-44-28-34-22-24-38(26-36(34)30-51(44)60-56(45)54)57-47-18-8-4-14-40(47)41-15-5-9-19-48(41)57/h1-32H
InChIKeyWCDRRPAFQAYZOX-UHFFFAOYSA-N
MW764.88 g/mol
LogP15.65
Rot. Bonds3

About 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole

9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole (PubChem CID 155363096) has the molecular formula C56H32N2O2 and a molecular weight of 764.88 g/mol. Its IUPAC name is 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole.

Molecular Properties

Compound Name9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole
PubChem CID155363096
Molecular FormulaC56H32N2O2
Molecular Weight764.88 g/mol
Exact Mass764.25
IUPAC Name9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole
SMILESc1ccc(-c2c3oc4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc4c3cc3oc4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc4c23)cc1
InChIInChI=1S/C56H32N2O2/c1-2-12-33(13-3-1)54-55-46-29-35-23-25-39(58-49-20-10-6-16-42(49)43-17-7-11-21-50(43)58)27-37(35)31-52(46)59-53(55)32-45-44-28-34-22-24-38(26-36(34)30-51(44)60-56(45)54)57-47-18-8-4-14-40(47)41-15-5-9-19-48(41)57/h1-32H
InChIKeyWCDRRPAFQAYZOX-UHFFFAOYSA-N
XLogP15.65
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.88
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole with MolForge

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Related Compounds

9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole
CID 155361180
9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147353
9-(16-carbazol-9-yl-2-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)carbazole;9-(16-carbazol-9-yl-2-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)carbazole;9-[16-(2,6-diphenylpyrimidin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole;9-[16-(8-phenyldibenzofuran-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 158590374
1-[2-phenyl-23-(4-propan-2-ylpiperidin-1-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl]-4-propan-2-ylpiperidine
CID 155363101
9-naphtho[3,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162781609
9-N,23-N-bis(3,5-dimethylphenyl)-9-N,23-N,2-triphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155361228
22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
CID 122465786
9-(17-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147323
9-(16-naphthalen-2-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl)carbazole
CID 59147212
2-(13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaen-7-yl)-9-phenylcarbazole
CID 154600360
1-(15,16-diphenyl-23-piperidin-1-yl-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1,3(12),4,6,8,10,14,16,19(28),20,22,24,26-tridecaen-8-yl)piperidine
CID 155361067
15-(5-naphthalen-2-ylindolo[3,2-b]carbazol-11-yl)-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 170371341

Frequently Asked Questions

What is the IUPAC name of 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole?
The IUPAC name of 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole (CID 155363096) is 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole.
What is the SMILES notation for 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole?
The canonical SMILES for 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole is c1ccc(-c2c3oc4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc4c3cc3oc4cc5cc(-n6c7ccccc7c7ccccc76)ccc5cc4c23)cc1.
What is the InChIKey of 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole?
The InChIKey is WCDRRPAFQAYZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N2O2/c1-2-12-33(13-3-1)54-55-46-29-35-23-25-39(58-49-20-10-6-16-42(49)43-17-7-11-21-50(43)58)27-37(35)31-52(46)59-53(55)32-45-44-28-34-22-24-38(26-36(34)30-51(44)60-56(45)54)57-47-18-8-4-14-40(47)41-15-5-9-19-48(41)57/h1-32H.
What are the key properties of 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole?
9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole has a molecular weight of 764.88 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(23-carbazol-9-yl-2-phenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole is sourced from PubChem (CID 155363096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).