9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole

C36H26N2O2 — CID 134172060

IUPAC9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole
SMILESCCn1c2ccccc2c2cc(C3c4c(ccc5cc(C)ccc45)Oc4ccc5cc(N=O)ccc5c43)ccc21
InChIInChI=1S/C36H26N2O2/c1-3-38-30-7-5-4-6-28(30)29-20-24(9-15-31(29)38)34-35-26-13-8-21(2)18-22(26)10-16-32(35)40-33-17-11-23-19-25(37-39)12-14-27(23)36(33)34/h4-20,34H,3H2,1-2H3
InChIKeyMWZZFBQBCGSCMB-UHFFFAOYSA-N
MW518.62 g/mol
LogP10.11
Rot. Bonds3

About 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole

9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole (PubChem CID 134172060) has the molecular formula C36H26N2O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole.

Molecular Properties

Compound Name9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole
PubChem CID134172060
Molecular FormulaC36H26N2O2
Molecular Weight518.62 g/mol
Exact Mass518.20
IUPAC Name9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole
SMILESCCn1c2ccccc2c2cc(C3c4c(ccc5cc(C)ccc45)Oc4ccc5cc(N=O)ccc5c43)ccc21
InChIInChI=1S/C36H26N2O2/c1-3-38-30-7-5-4-6-28(30)29-20-24(9-15-31(29)38)34-35-26-13-8-21(2)18-22(26)10-16-32(35)40-33-17-11-23-19-25(37-39)12-14-27(23)36(33)34/h4-20,34H,3H2,1-2H3
InChIKeyMWZZFBQBCGSCMB-UHFFFAOYSA-N
XLogP10.11
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 510.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole with MolForge

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Related Compounds

9-ethyl-2-methylcarbazole
CID 19788789
2-(4-phenanthren-9-ylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 146578169
ethane;2-(4-methylphenyl)-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-7,19-diol
CID 165028803
N-(9-ethylcarbazol-3-yl)-1-(3-methylphenyl)methanimine
CID 12752584
6,20-dimethyl-2-naphthalen-1-yl-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene
CID 176994638
N-(9-ethylcarbazol-3-yl)methanimine
CID 163885182
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346
N-[(9-ethylcarbazol-3-yl)methylideneamino]-N,4-dimethylbenzenesulfonamide
CID 23960642
6-amino-4-(9-ethylcarbazol-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2891150
(4S)-4-(9-ethylcarbazol-3-yl)-1,3-oxazolidin-2-one
CID 171184159
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole?
The IUPAC name of 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole (CID 134172060) is 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole.
What is the SMILES notation for 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole?
The canonical SMILES for 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole is CCn1c2ccccc2c2cc(C3c4c(ccc5cc(C)ccc45)Oc4ccc5cc(N=O)ccc5c43)ccc21.
What is the InChIKey of 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole?
The InChIKey is MWZZFBQBCGSCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O2/c1-3-38-30-7-5-4-6-28(30)29-20-24(9-15-31(29)38)34-35-26-13-8-21(2)18-22(26)10-16-32(35)40-33-17-11-23-19-25(37-39)12-14-27(23)36(33)34/h4-20,34H,3H2,1-2H3.
What are the key properties of 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole?
9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole has a molecular weight of 518.62 g/mol, XLogP of 10.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-(7-methyl-19-nitroso-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaen-2-yl)carbazole is sourced from PubChem (CID 134172060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).