11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole

C36H21N5O — CID 163940519

IUPAC11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)ccc3c3c2nc2cccnn23)cc1
InChIInChI=1S/C36H21N5O/c1-2-9-22(10-3-1)40-30-19-23(16-17-26(30)35-36(40)38-34-15-8-18-37-41(34)35)39-29-13-6-4-11-24(29)27-21-33-28(20-31(27)39)25-12-5-7-14-32(25)42-33/h1-21H
InChIKeyRQOZWUVXXXFLEA-UHFFFAOYSA-N
MW539.60 g/mol
LogP8.82
Rot. Bonds2

About 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole

11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole (PubChem CID 163940519) has the molecular formula C36H21N5O and a molecular weight of 539.60 g/mol. Its IUPAC name is 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole
PubChem CID163940519
Molecular FormulaC36H21N5O
Molecular Weight539.60 g/mol
Exact Mass539.17
IUPAC Name11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-n2c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)ccc3c3c2nc2cccnn23)cc1
InChIInChI=1S/C36H21N5O/c1-2-9-22(10-3-1)40-30-19-23(16-17-26(30)35-36(40)38-34-15-8-18-37-41(34)35)39-29-13-6-4-11-24(29)27-21-33-28(20-31(27)39)25-12-5-7-14-32(25)42-33/h1-21H
InChIKeyRQOZWUVXXXFLEA-UHFFFAOYSA-N
XLogP8.82
TPSA53.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
3-[3-[4-[3-[3-[3-([1]benzofuro[3,2-b]carbazol-11-yl)carbazol-9-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-11-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-[1]benzofuro[3,2-b]carbazole
CID 129190405
15-(9-dibenzofuran-3-ylcarbazol-3-yl)-11,19-diphenyl-11,15,19-triazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 174349854
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
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-25-phenyl-5-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 140957247
22-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621754
2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163556848
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
2-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753463

Frequently Asked Questions

What is the IUPAC name of 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole (CID 163940519) is 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole is c1ccc(-n2c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)ccc3c3c2nc2cccnn23)cc1.
What is the InChIKey of 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole?
The InChIKey is RQOZWUVXXXFLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21N5O/c1-2-9-22(10-3-1)40-30-19-23(16-17-26(30)35-36(40)38-34-15-8-18-37-41(34)35)39-29-13-6-4-11-24(29)27-21-33-28(20-31(27)39)25-12-5-7-14-32(25)42-33/h1-21H.
What are the key properties of 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole?
11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole has a molecular weight of 539.60 g/mol, XLogP of 8.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(10-phenyl-2,3,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),3,5,7,11(16),12,14-heptaen-13-yl)-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163940519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).