9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole

C52H29NO2 — CID 154600343

IUPAC9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole
SMILESc1ccc2c(c1)ccc1oc3cc4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc5c4cc3c12
InChIInChI=1S/C52H29NO2/c1-2-10-34-30(9-1)19-23-50-52(34)45-28-41-37-21-17-31(25-40(37)35-11-3-4-12-36(35)42(41)29-51(45)55-50)32-18-22-47-43(26-32)38-13-5-7-15-46(38)53(47)33-20-24-49-44(27-33)39-14-6-8-16-48(39)54-49/h1-29H
InChIKeyYTQCWGIWNQCHKL-UHFFFAOYSA-N
MW699.81 g/mol
LogP14.86
Rot. Bonds2

About 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole

9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole (PubChem CID 154600343) has the molecular formula C52H29NO2 and a molecular weight of 699.81 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole
PubChem CID154600343
Molecular FormulaC52H29NO2
Molecular Weight699.81 g/mol
Exact Mass699.22
IUPAC Name9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole
SMILESc1ccc2c(c1)ccc1oc3cc4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc5c4cc3c12
InChIInChI=1S/C52H29NO2/c1-2-10-34-30(9-1)19-23-50-52(34)45-28-41-37-21-17-31(25-40(37)35-11-3-4-12-36(35)42(41)29-51(45)55-50)32-18-22-47-43(26-32)38-13-5-7-15-46(38)53(47)33-20-24-49-44(27-33)39-14-6-8-16-48(39)54-49/h1-29H
InChIKeyYTQCWGIWNQCHKL-UHFFFAOYSA-N
XLogP14.86
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.81
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole with MolForge

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Related Compounds

16-phenyl-20-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 134223333
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
N-[4-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90321282
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
23-naphthalen-2-yl-5-(8-phenanthren-3-yldibenzofuran-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 164741483
9-[16-(16-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-6-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 59147197
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
9-dibenzofuran-2-yl-3-(1-triphenylen-2-ylindol-6-yl)carbazole
CID 130232168
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole (CID 154600343) is 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole is c1ccc2c(c1)ccc1oc3cc4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc5c4cc3c12.
What is the InChIKey of 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole?
The InChIKey is YTQCWGIWNQCHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29NO2/c1-2-10-34-30(9-1)19-23-50-52(34)45-28-41-37-21-17-31(25-40(37)35-11-3-4-12-36(35)42(41)29-51(45)55-50)32-18-22-47-43(26-32)38-13-5-7-15-46(38)53(47)33-20-24-49-44(27-33)39-14-6-8-16-48(39)54-49/h1-29H.
What are the key properties of 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole?
9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole has a molecular weight of 699.81 g/mol, XLogP of 14.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-2-yl-3-(14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaen-26-yl)carbazole is sourced from PubChem (CID 154600343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).