10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

C61H35N3O2 — CID 154952095

IUPAC10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)cc3c4cc(-c5cccc6oc7ccc(-n8c9ccccc9c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc98)cc7c56)ccc4n1c23
InChIInChI=1S/C61H35N3O2/c65-61-45-21-8-7-18-42(45)49-31-38(36-14-3-1-4-15-36)32-50-46-30-37(26-28-54(46)64(61)60(49)50)41-22-13-25-58-59(41)51-33-40(27-29-57(51)66-58)63-53-24-12-10-20-44(53)48-34-47-43-19-9-11-23-52(43)62(55(47)35-56(48)63)39-16-5-2-6-17-39/h1-35H
InChIKeySFALHGNLKKCRTI-UHFFFAOYSA-N
MW841.97 g/mol
LogP15.62
Rot. Bonds4

About 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (PubChem CID 154952095) has the molecular formula C61H35N3O2 and a molecular weight of 841.97 g/mol. Its IUPAC name is 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.

Molecular Properties

Compound Name10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
PubChem CID154952095
Molecular FormulaC61H35N3O2
Molecular Weight841.97 g/mol
Exact Mass841.27
IUPAC Name10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
SMILESO=c1c2ccccc2c2cc(-c3ccccc3)cc3c4cc(-c5cccc6oc7ccc(-n8c9ccccc9c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc98)cc7c56)ccc4n1c23
InChIInChI=1S/C61H35N3O2/c65-61-45-21-8-7-18-42(45)49-31-38(36-14-3-1-4-15-36)32-50-46-30-37(26-28-54(46)64(61)60(49)50)41-22-13-25-58-59(41)51-33-40(27-29-57(51)66-58)63-53-24-12-10-20-44(53)48-34-47-43-19-9-11-23-52(43)62(55(47)35-56(48)63)39-16-5-2-6-17-39/h1-35H
InChIKeySFALHGNLKKCRTI-UHFFFAOYSA-N
XLogP15.62
TPSA44.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.97
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154952112
10-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 154952437
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-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 134515861
10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 154952034
5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154952111
5,10-bis(3-carbazol-9-ylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154593080
11-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390301
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390314
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The IUPAC name of 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (CID 154952095) is 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.
What is the SMILES notation for 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The canonical SMILES for 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is O=c1c2ccccc2c2cc(-c3ccccc3)cc3c4cc(-c5cccc6oc7ccc(-n8c9ccccc9c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10cc98)cc7c56)ccc4n1c23.
What is the InChIKey of 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The InChIKey is SFALHGNLKKCRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H35N3O2/c65-61-45-21-8-7-18-42(45)49-31-38(36-14-3-1-4-15-36)32-50-46-30-37(26-28-54(46)64(61)60(49)50)41-22-13-25-58-59(41)51-33-40(27-29-57(51)66-58)63-53-24-12-10-20-44(53)48-34-47-43-19-9-11-23-52(43)62(55(47)35-56(48)63)39-16-5-2-6-17-39/h1-35H.
What are the key properties of 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one has a molecular weight of 841.97 g/mol, XLogP of 15.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is sourced from PubChem (CID 154952095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).