5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

C52H30N2O — CID 129299096

IUPAC5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccccc4c32)cc1
InChIInChI=1S/C52H30N2O/c1-3-16-36-33(13-1)34-14-2-4-17-37(34)49-47(36)38-18-5-6-19-39(38)51-50(49)42-21-8-11-23-44(42)54(51)32-27-25-31(26-28-32)53-43-22-10-7-20-41(43)48-45(53)30-29-40-35-15-9-12-24-46(35)55-52(40)48/h1-30H
InChIKeySETUNVRZQFXBDG-UHFFFAOYSA-N
MW698.83 g/mol
LogP14.39
Rot. Bonds2

About 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole

5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 129299096) has the molecular formula C52H30N2O and a molecular weight of 698.83 g/mol. Its IUPAC name is 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID129299096
Molecular FormulaC52H30N2O
Molecular Weight698.83 g/mol
Exact Mass698.24
IUPAC Name5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccccc4c32)cc1
InChIInChI=1S/C52H30N2O/c1-3-16-36-33(13-1)34-14-2-4-17-37(34)49-47(36)38-18-5-6-19-39(38)51-50(49)42-21-8-11-23-44(42)54(51)32-27-25-31(26-28-32)53-43-22-10-7-20-41(43)48-45(53)30-29-40-35-15-9-12-24-46(35)55-52(40)48/h1-30H
InChIKeySETUNVRZQFXBDG-UHFFFAOYSA-N
XLogP14.39
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.83
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
15,24-diphenyl-12-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679111
9-(4-carbazol-9-ylphenyl)-24-oxa-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118502828
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
4-[4-(15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaen-24-yl)phenyl]benzonitrile
CID 126679075
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
19-phenyl-9-oxa-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737993
12-dibenzofuran-4-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163757322
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
15-naphthalen-1-yl-24-(4-triphenylen-2-ylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679300
12-(4-triphenylen-2-ylphenyl)-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359194

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole (CID 129299096) is 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is c1ccc2c(c1)oc1c2ccc2c1c1ccccc1n2-c1ccc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4ccccc4c32)cc1.
What is the InChIKey of 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is SETUNVRZQFXBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N2O/c1-3-16-36-33(13-1)34-14-2-4-17-37(34)49-47(36)38-18-5-6-19-39(38)51-50(49)42-21-8-11-23-44(42)54(51)32-27-25-31(26-28-32)53-43-22-10-7-20-41(43)48-45(53)30-29-40-35-15-9-12-24-46(35)55-52(40)48/h1-30H.
What are the key properties of 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 698.83 g/mol, XLogP of 14.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9-azaheptacyclo[15.12.0.02,10.03,8.011,16.018,23.024,29]nonacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24,26,28-tetradecaen-9-yl)phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 129299096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).