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

C60H35NO — CID 164741483

IUPAC23-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
SMILESc1ccc2cc(-n3c4ccccc4c4cc5c6ccccc6c6cc(-c7ccc8oc9ccc(-c%10ccc%11ccc%12ccccc%12c%11c%10)cc9c8c7)ccc6c5cc43)ccc2c1
InChIInChI=1S/C60H35NO/c1-2-11-39-29-44(25-21-36(39)9-1)61-57-16-8-7-15-49(57)54-34-52-47-14-6-5-13-46(47)51-31-41(22-26-48(51)53(52)35-58(54)61)43-24-28-60-56(33-43)55-32-42(23-27-59(55)62-60)40-20-19-38-18-17-37-10-3-4-12-45(37)50(38)30-40/h1-35H
InChIKeyRRXCUDZFBBDGIJ-UHFFFAOYSA-N
MW785.95 g/mol
LogP16.94
Rot. Bonds3

About 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

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 (PubChem CID 164741483) has the molecular formula C60H35NO and a molecular weight of 785.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name23-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
PubChem CID164741483
Molecular FormulaC60H35NO
Molecular Weight785.95 g/mol
Exact Mass785.27
IUPAC Name23-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
SMILESc1ccc2cc(-n3c4ccccc4c4cc5c6ccccc6c6cc(-c7ccc8oc9ccc(-c%10ccc%11ccc%12ccccc%12c%11c%10)cc9c8c7)ccc6c5cc43)ccc2c1
InChIInChI=1S/C60H35NO/c1-2-11-39-29-44(25-21-36(39)9-1)61-57-16-8-7-15-49(57)54-34-52-47-14-6-5-13-46(47)51-31-41(22-26-48(51)53(52)35-58(54)61)43-24-28-60-56(33-43)55-32-42(23-27-59(55)62-60)40-20-19-38-18-17-37-10-3-4-12-45(37)50(38)30-40/h1-35H
InChIKeyRRXCUDZFBBDGIJ-UHFFFAOYSA-N
XLogP16.94
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.95
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9-naphthalen-2-yl-3-naphtho[1,2-b][1]benzofuran-8-ylcarbazole
CID 118919642
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
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-(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
7-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole;2-(9-phenylcarbazol-3-yl)-5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158696933
3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 157051196
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 121343394
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2cc(-n3c4ccccc4c4cc5c6ccccc6c6cc(-c7ccc8oc9ccc(-c%10ccc%11ccc%12ccccc%12c%11c%10)cc9c8c7)ccc6c5cc43)ccc2c1.
What is the InChIKey of 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?
The InChIKey is RRXCUDZFBBDGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35NO/c1-2-11-39-29-44(25-21-36(39)9-1)61-57-16-8-7-15-49(57)54-34-52-47-14-6-5-13-46(47)51-31-41(22-26-48(51)53(52)35-58(54)61)43-24-28-60-56(33-43)55-32-42(23-27-59(55)62-60)40-20-19-38-18-17-37-10-3-4-12-45(37)50(38)30-40/h1-35H.
What are the key properties of 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?
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 has a molecular weight of 785.95 g/mol, XLogP of 16.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164741483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).